SCHEMBL3748882

SCHEMBL3748882

CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C#N)c1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.62
CTSK P43235 11/20 0.62
CTSB P07858 4/20 0.62
CTSL P07711 2/20 0.61
ACE P12821 1/20 0.60
PTPN1 P18031 2/20 0.56
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
GPR34 Q9UPC5 1/20 0.51
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50

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
SCHEMBL29907936 1.00 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL3748888 1.00 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL5067241 1.00 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL12890746 0.91 REN (0.58) CTSSCTSKCTSBCTSLACE
SCHEMBL25419654 0.90 CTSS (0.58) CTSSCTSKCTSBCTSLACE
SCHEMBL6163123 0.90 CTSS (0.58) CTSSCTSKCTSBCTSLACE
SCHEMBL6164303 0.90 CTSS (0.58) CTSSCTSKCTSBCTSLACE
SCHEMBL1336085 0.89 CTSS (0.61) CTSSCTSKCTSBCTSLACE
SCHEMBL25418554 0.88 CTSS (0.58) CTSSCTSKCTSBCTSLACE
SCHEMBL4499875 0.86 CTSS (0.53) CTSSCTSKCTSBCTSLACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720058-A2 BIFUNCTIONAL DEGRADERS AND USES THEREOF Casma Therapeutics, Inc. (US) 2026-04-08 EP disclosed
WO-2024249291-A2 BIFUNCTIONAL DEGRADERS AND USES THEREOF CASMA THERAPEUTICS, INC. (US) 2024-12-05 WO disclosed
US-20240057599-A1 METHODS FOR IMPROVING FRUIT QUALITY THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2024-02-22 US disclosed
US-11812746-B2 Method of controlling fungal infections in plants THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2023-11-14 US disclosed
WO-2023102140-A1 TMPRSS2 INHIBITORS AND METHODS OF USE TOPSPIN THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed
CN-115093376-A Double/multiple functional unnatural amino acid, conjugate and application thereof 北京大学 2022-09-23 CN disclosed
US-20220169676-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES WASHINGTON UNIVERSITY (US) 2022-06-02 US disclosed
US-20220169676-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES WASHINGTON UNIVERSITY (US) 2022-06-02 US disclosed
CN-108699106-B Novel trifluoromethylpropionamide derivatives as HTRA1 inhibitors 豪夫迈·罗氏有限公司 2021-11-30 CN disclosed
US-11130780-B2 Inhibitors of growth factor activation enzymes WASHINGTON UNIVERSITY (US) 2021-09-28 US disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed
WO-2000071512-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 WO disclosed
US-5861393-A THROMBIN INHIBITORS; VASCULAR, CARDIOVASCULAR, NERVOUS SYSTEM AND BRAIN DISORDERS; ANTIISCHEMIC AND ANTIINFLAMMATORY AGENTS; RESTENOSIS PFIZER INC. (US) 1999-01-19 US disclosed
US-5750520-A SELECTIVE THROMBIN INHIBITORS; WOUND HEALING AGENTS PFIZER INC. (US) 1998-05-12 US disclosed
EP-0728132-B1 ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES PFIZER LTD (GB) 1997-07-16 EP disclosed
US-5607937-A Piperazides of substituted phenylalanine derivatives as thrombin inhibitors PENTAPHARM AG (CH) 1997-03-04 US disclosed
EP-0728132-A1 ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES PFIZER LTD (GB) 1996-08-28 EP disclosed
WO-1995013274-A1 ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES PFIZER LIMITED (GB) 1995-05-18 WO disclosed
EP-0635008-A1 PIPERAZIDES OF SUBSTITUTED PHENYLALANINE DERIVATES AS THROMBIN INHIBITORS Pentapharm A.G. (CH) 1995-01-25 EP disclosed
WO-1994018185-A1 PIPERAZIDES OF SUBSTITUTED PHENYLALANINE DERIVATES AS THROMBIN INHIBITORS PENTAPHARM AG (CH) 1994-08-18 WO 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 (2 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-11130780-B2 Inhibitors of growth factor activation enzymes HDGF, MMP7, HGF CTSS 188/4885CTSK 293/4885CTSB 262/4885
US-20220169676-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES HDGF, MMP7, HGF CTSS 188/4885CTSK 293/4885CTSB 262/4885

“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.