SCHEMBL85543

SCHEMBL85543

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.64
CTSK P43235 2/20 0.64
CTSL P07711 1/20 0.64
CTSB P07858 1/20 0.64
ACE P12821 1/20 0.61
KLK5 Q9Y337 1/20 0.60
PPARA Q07869 1/20 0.59
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
TACR1 P25103 2/20 0.56
ATM Q13315 1/20 0.56
SYK P43405 1/20 0.56
AKT1 P31749 1/20 0.56
EPHX2 P34913 1/20 0.55

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
SCHEMBL22404737 1.00 CTSS (0.64) CTSSCTSKCTSLCTSBACE
SCHEMBL3355326 1.00 CTSS (0.64) CTSSCTSKCTSLCTSBACE
SCHEMBL16163459 0.95 CTSS (0.63) CTSSCTSKCTSLCTSBACE
SCHEMBL7409389 0.95 CTSS (0.65) CTSSCTSKCTSLCTSBACE
SCHEMBL27487987 0.95 CTSS (0.65) CTSSCTSKCTSLCTSBACE
SCHEMBL7409385 0.95 CTSS (0.65) CTSSCTSKCTSLCTSBACE
SCHEMBL7235877 0.95 CTSS (0.63) CTSSCTSKCTSLCTSBACE
SCHEMBL1486267 0.95 CTSS (0.63) CTSSCTSKCTSLCTSBACE
SCHEMBL27487988 0.95 CTSS (0.65) CTSSCTSKCTSLCTSBACE
SCHEMBL3821800 0.95 CTSS (0.65) CTSSCTSKCTSLCTSBACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113366011-B Process for producing peptide compound 日产化学株式会社 2024-08-16 CN disclosed
US-11993629-B2 Method for producing peptide compound NISSAN CHEMICAL CORPORATION (JP) 2024-05-28 US disclosed
US-20220106355-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND NISSAN CHEMICAL CORPORATION (JP) 2022-04-07 US disclosed
EP-3922638-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND Nissan Chemical Corporation (JP) 2021-12-15 EP disclosed
WO-2020162393-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND 日産化学株式会社 2020-08-13 WO disclosed
CN-110167921-A ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS 勃林格殷格翰动物保健美国公司 2019-08-23 CN disclosed
US-20160347792-A1 FLUORINATED EPOXYKETONE-BASED COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS TRILLIUM THERAPEUTICS INC. (CA) 2016-12-01 US disclosed
US-9441012-B2 Fluorinated epoxyketone-based compounds and uses thereof as proteasome inhibitors TRILLIUM THERAPEUTICS INC. (CA) 2016-09-13 US disclosed
US-9257576-B2 Amino acid generator and polysiloxane composition containing the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-09 US disclosed
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS HOFFMANN-LA ROCHE INC. 2015-10-01 US disclosed
US-20080090785-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) 2008-04-17 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
EP-1306367-B1 SULFONIC ACID DERIVATIVES OF HYDROXAMIC ACIDS AND THEIR USE AS MEDICINAL PRODUCTS MITSUBISHI PHARMA CORP (JP) 2007-07-18 EP 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-6989401-B2 Sulfonic acid derivatives of hydroxamic acids and their use as medicinal products MITSUBISHI PHARMA CORPORATION (JP) 2006-01-24 US disclosed
CN-1169809-C Beta-tetrahydro carboline carboxylic acid, its RGD conjugate, their synthesis and medical application 浙江医药股份有限公司新昌制药厂 2004-10-06 CN disclosed
US-20030176486-A1 Sulfonic acid derivatives of hydroxamic acids and their use as medicinal products MITSUBISHI PHARMA CORPORATION (JP) 2003-09-18 US disclosed
EP-1306367-A1 SULFONIC ACID DERIVATIVES OF HYDROXAMIC ACIDS AND THEIR USE AS MEDICINAL PRODUCTS Welfide Corporation (JP) 2003-05-02 EP disclosed
CN-1370778-A Beta-tetrahydro carboline carboxylic acid, its RGD conjugate, their synthesis and medical application XINCHANG PHARMACEUTICAL FACTORY ZHEJIANG MEDICINE CO LTD (CN) 2002-09-25 CN disclosed
US-4223132-A Selective conversion of benzyl alcohol carboxylates to the free acid form SHIONOGI & CO., LTD. (JP) 1980-09-16 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 (7 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-20160347792-A1 FLUORINATED EPOXYKETONE-BASED COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS PSMB5, PSMB1, PSMB7 CTSS 1116/4885CTSK 78/4885CTSL 2486/4885
US-20030176486-A1 Sulfonic acid derivatives of hydroxamic acids and their use as medicinal products HDAC5, STS, LITAF CTSS 2001/4885CTSK 2590/4885CTSL 1665/4885
US-20080090785-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 CTSS 107/4885CTSK 122/4885CTSL 174/4885
US-11993629-B2 Method for producing peptide compound VIP, NGLY1, IAPP CTSS 438/4885CTSK 978/4885CTSL 198/4885
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS PSMB7, PSMB5, PSMC2 CTSS 131/4885CTSK 114/4885CTSL 554/4885
US-20220106355-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND VIP, NGLY1, IAPP CTSS 438/4885CTSK 978/4885CTSL 198/4885
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 CTSS 100/4885CTSK 128/4885CTSL 177/4885

“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.