SCHEMBL6162390

SCHEMBL6162390

CC(C)(C)OC(=O)NC(Cc1ccnc(C#N)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.54
ACE P12821 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
CTSS P25774 13/20 0.52
CTSK P43235 12/20 0.52
CTSB P07858 4/20 0.52
CTSL P07711 2/20 0.52
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44

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
SCHEMBL6162397 1.00 PTPN1 (0.54) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL7399034 0.87 CTSS (0.53) PTPN1ACECTSSCTSKCTSB
SCHEMBL31407628 0.84 ACE (0.57) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL21639116 0.83 PTPN1 (0.57) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL21639114 0.83 PTPN1 (0.57) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL14860326 0.82 ACE (0.55) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL31407461 0.82 ACE (0.55) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL19304674 0.82 ACE (0.55) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL31407804 0.82 ACE (0.55) PTPN1ACEITGB3ITGA2BCTSS
SCHEMBL21639255 0.81 CTSS (0.57) PTPN1ACEITGB3ITGA2BCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP 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
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
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

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

For each of this compound's patents that has machine-readable text (1 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI PTPN1 1142/4885ACE 93/4885ITGB3 1412/4885

“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.