SCHEMBL85021

SCHEMBL85021

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
THRB P10828 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ERAP2 Q6P179 4/20 0.57
ERAP1 Q9NZ08 4/20 0.57
IL1RN P18510 3/20 0.57
NPY4R P50391 2/20 0.56
NPY1R P25929 1/20 0.56
BIRC2 Q13490 1/20 0.54
CAPN1 P07384 1/20 0.54
LNPEP Q9UIQ6 2/20 0.54
OPRK1 P41145 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18257509 1.00 ALDH1A1 (0.57) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL18171940 0.99 ERAP2 (0.56) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL17894106 0.99 ERAP2 (0.56) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL17894107 0.99 ERAP2 (0.56) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL18171932 0.99 ERAP2 (0.56) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL2633273 0.92 CTSL (0.51) ERAP2ERAP1IL1RNNPY4RNPY1R
SCHEMBL18257494 0.91 CAPN1 (0.56) ERAP2ERAP1IL1RNCAPN1
SCHEMBL20825249 0.91 CAPN1 (0.56) ERAP2ERAP1IL1RNCAPN1
SCHEMBL10085194 0.91 ALDH1A1 (0.57) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL29076930 0.90 CAPN1 (0.55) ERAP2ERAP1IL1RNCAPN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159586-A1 INHIBITORS OF HUMAN EPIDIDYMUS PROTEIN 4 UNIVERSITY OF ROCHESTER 2023-05-25 US disclosed
WO-2021216670-A1 INHIBITORS OF HUMAN EPIDIDYMUS PROTEIN 4 UNIVERSITY OF ROCHESTER (US) 2021-10-28 WO disclosed
US-10800809-B2 Processes for the preparation of carfilzomib or pharmaceutically acceptable salts thereof LAURUS LABS LIMITED (IN) 2020-10-13 US disclosed
US-10544189-B2 Process for the preparation of (2S)-N-((S)-1-((S)-4-methyl-1-((R)-2-methyl oxiran-2-yl)-1-oxopentan-2-ylcarbamoyl)-2-phenylethyl)-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)-4-methylpentanamide MSN LABORATORIES PRIVATE LIMITED (IN) 2020-01-28 US disclosed
US-20190284231-A1 PROCESSES FOR THE PREPARATION OF CARFILZOMIB OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LAURUS LABS LIMITED (IN) 2019-09-19 US disclosed
US-10364269-B2 Processes for the preparation of carfilzomib or pharmaceutically acceptable salts thereof LAURUS LABS LIMITED (IN) 2019-07-30 US disclosed
US-20190085026-A1 AN IMPROVED PROCESSES FOR THE PREPARATION OF CARFILZOMIB OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF Laurus Labs Ltd. (IN) 2019-03-21 US disclosed
US-20160222057-A1 COMPOUNDS FOR PROTEASOME ENZYME INHIBITION ONYX THERAPEUTICS INC (US) 2016-08-04 US disclosed
US-8324174-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-12-04 US disclosed
US-20120277146-A1 Compounds For Enzyme Inhibition ONYX PHARMACEUTICALS INC. (US) 2012-11-01 US disclosed
US-20120094928-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2012-04-19 US disclosed
US-20120094926-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2012-04-19 US disclosed
US-8129346-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-03-06 US disclosed
US-7491704-B2 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2009-02-17 US disclosed
US-7491704-B2 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2009-02-17 US disclosed
US-20080200398-A1 Compounds For Enzyme Inhibition PROTEOLIX, INC. (US) 2008-08-21 US disclosed
US-20070191284-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2007-08-16 US disclosed
US-20070191284-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2007-08-16 US disclosed
US-7232818-B2 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2007-06-19 US disclosed
US-7232818-B2 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2007-06-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10544189-B2 Process for the preparation of (2S)-N-((S)-1-((S)-4-methyl-1-((R)-2-methyl oxiran-2-yl)-1-oxopentan-2-ylcarbamoyl)-2-phenylethyl)-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)-4-methylpentanamide OPRL1, PNMT, HTR1A ALDH1A1 703/4885THRB 1490/4885CYP2C9 257/4885
US-20190085026-A1 AN IMPROVED PROCESSES FOR THE PREPARATION OF CARFILZOMIB OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF PRCP, SF3B5, GBA1 ALDH1A1 3950/4885THRB 4694/4885CYP2C9 1455/4885
US-10364269-B2 Processes for the preparation of carfilzomib or pharmaceutically acceptable salts thereof SF3B5, PRCP, GBA1 ALDH1A1 3880/4885THRB 4652/4885CYP2C9 1487/4885
US-20160222057-A1 COMPOUNDS FOR PROTEASOME ENZYME INHIBITION PSMB1, PSMB9, PSMB3 ALDH1A1 2989/4885THRB 2838/4885CYP2C9 1451/4885
US-10800809-B2 Processes for the preparation of carfilzomib or pharmaceutically acceptable salts thereof SF3B5, PRCP, GBA1 ALDH1A1 3880/4885THRB 4652/4885CYP2C9 1487/4885
US-20080200398-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 ALDH1A1 2975/4885THRB 2511/4885CYP2C9 1013/4885
US-20230159586-A1 INHIBITORS OF HUMAN EPIDIDYMUS PROTEIN 4 MAN2B2, NASP, BRDT ALDH1A1 1909/4885THRB 1636/4885CYP2C9 4829/4885
US-20120094928-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 ALDH1A1 2975/4885THRB 2511/4885CYP2C9 1013/4885
US-20120094926-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, DNPEP, CPN1 ALDH1A1 2975/4885THRB 2511/4885CYP2C9 1013/4885
US-20190284231-A1 PROCESSES FOR THE PREPARATION OF CARFILZOMIB OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF SF3B5, PRCP, GBA1 ALDH1A1 3880/4885THRB 4652/4885CYP2C9 1487/4885
US-20120277146-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 ALDH1A1 2975/4885THRB 2511/4885CYP2C9 1013/4885
US-20070191284-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents ANPEP, DNPEP, PSMB1 ALDH1A1 3506/4885THRB 3211/4885CYP2C9 2167/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.