SCHEMBL8266129

SCHEMBL8266129

CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.60
CTSL P07711 1/20 0.56
CTSK P43235 1/20 0.56
MDM2 Q00987 1/20 0.52
GRB2 P62993 1/20 0.48
CAPN1 P07384 1/20 0.48

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
SCHEMBL8267301 0.94 PTPN1 (0.61) PTPN1CTSLCTSKMDM2GRB2
SCHEMBL2735616 0.91 PTPN1 (0.58) PTPN1CAPN1
SCHEMBL29398078 0.91 PTPN1 (0.58) PTPN1CAPN1
SCHEMBL29445591 0.91 MDM2 (0.59) PTPN1MDM2
SCHEMBL2304915 0.91 MDM2 (0.59) PTPN1MDM2
SCHEMBL2304920 0.91 MDM2 (0.59) PTPN1MDM2
SCHEMBL3724885 0.91 MDM2 (0.59) PTPN1MDM2
SCHEMBL29397862 0.91 MDM2 (0.59) PTPN1MDM2
SCHEMBL30686153 0.91 MDM2 (0.59) PTPN1MDM2
SCHEMBL10106060 0.90 PTPN1 (0.58) PTPN1MDM2CAPN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222057-A1 COMPOUNDS FOR PROTEASOME ENZYME INHIBITION ONYX THERAPEUTICS INC (US) 2016-08-04 US disclosed
US-20120329705-A1 COMPOUNDS FOR PROTEASOME ENZYME INHIBITION ONYX THERAPEUTICS, INC. 2012-12-27 US disclosed
US-8198270-B2 Compounds for proteasome enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-06-12 US disclosed
US-20090131421-A1 Compounds for proteasome enzyme inhibition ONYX THERAPEUTICS, INC. 2009-05-21 US disclosed
US-7417042-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) 2008-08-26 US disclosed
WO-2006017842-A1 COMPOUNDS FOR PROTEASOME ENZYME INHIBITION PROTEOLIX, INC. (US) 2006-02-16 WO disclosed
US-20060030533-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) 2006-02-09 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 (4 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-20160222057-A1 COMPOUNDS FOR PROTEASOME ENZYME INHIBITION PSMB1, PSMB9, PSMB3 PTPN1 643/4885CTSL 372/4885CTSK 181/4885
US-20120329705-A1 COMPOUNDS FOR PROTEASOME ENZYME INHIBITION PSMB1, PSMB9, PSMB3 PTPN1 643/4885CTSL 372/4885CTSK 181/4885
US-20090131421-A1 Compounds for proteasome enzyme inhibition PSMB1, PSMB9, PSMB3 PTPN1 643/4885CTSL 372/4885CTSK 181/4885
US-20060030533-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, CPN1 PTPN1 906/4885CTSL 173/4885CTSK 127/4885

“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.