SCHEMBL5435243

SCHEMBL5435243

CC(=O)NC(Cc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
LMNA P02545 1/20 0.56
ITGB3 P05106 2/20 0.55
ITGA2B P08514 2/20 0.55
ACACB O00763 7/20 0.50
ACE P12821 3/20 0.48
MME P08473 3/20 0.47
CPA1 P15085 2/20 0.47
ACE2 Q9BYF1 2/20 0.47
GPR34 Q9UPC5 1/20 0.46
GNPAT O15228 1/20 0.46
FOLH1 Q04609 1/20 0.46

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
SCHEMBL7292657 1.00 CTSS (0.56) CTSSCTSKLMNAITGB3ITGA2B
SCHEMBL5435245 1.00 CTSS (0.56) CTSSCTSKLMNAITGB3ITGA2B
SCHEMBL22285669 0.85 ITGB3 (0.52) CTSSITGB3ITGA2BACACBACE
SCHEMBL22285670 0.85 ITGB3 (0.52) CTSSITGB3ITGA2BACACBACE
SCHEMBL6139160 0.85 NLRP3 (0.58) CTSSCTSKACACB
SCHEMBL9258153 0.85 MME (0.47) ITGB3ITGA2BACEMMECPA1
SCHEMBL29855080 0.84 LOXL2 (0.49) ACEMMECPA1ACE2GPR34
SCHEMBL28357222 0.84 LOXL2 (0.49) ACEMMECPA1ACE2GPR34
Afalanine SCHEMBL27419332 0.83 CTSS (0.69) CTSSCTSKLMNAACEMME
Afalanine SCHEMBL27419331 0.83 CTSS (0.69) CTSSCTSKLMNAACEMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070244241-A1 Resin Composition NISSHINBO INDUSTRIES, INC. (JP) 2007-10-18 US disclosed
US-7084250-B2 Process for the preparation of acetyl-amidiniophenylalanyl-cyclohexylglycyl-pyridinioalaninamides SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-08-01 US disclosed
EP-1254159-B9 PROCESS FOR THE PREPARATION OF ACETYL-AMIDINIOPHENYLALANYL-CYCLOHEXYLGLYCYL-PYRIDYLALANINAMIDES SANOFI AVENTIS DEUTSCHLAND (DE) 2006-06-28 EP disclosed
EP-1254159-B1 PROCESS FOR THE PREPARATION OF ACETYL-AMIDINIOPHENYLALANYL-CYCLOHEXYLGLYCYL-PYRIDYLALANINAMIDES SANOFI AVENTIS DEUTSCHLAND (DE) 2006-05-10 EP disclosed
US-20040225109-A1 Process for the preparation of acetyl-amidiniophenylalanyl-cyclohexylglycyl-pyridinioalaninamides AVENTIS PHARMA DEUTSCHLAND GMBH 2004-11-11 US disclosed
US-6759384-B1 LOW MOLECULAR WEIGHT ANTICOAGULANTS WITHOUT SIDE EFFECTS; DERIVATIVES OF AT LEAST PROLINE, LEUCINE AND ARGININE SEQUENCE AVENTIS PHARMACEUTICALS INC. 2004-07-06 US disclosed
EP-0758341-B1 FACTOR Xa INHIBITORS AVENTIS PHARMA INC (US) 2004-03-24 EP disclosed
EP-1384725-A2 Factor Xa inhibitors Aventis Pharmaceuticals, Inc. (US) 2004-01-28 EP disclosed
EP-1254159-A2 PROCESS FOR THE PREPARATION OF ACETYL-AMIDINIOPHENYLALANYL-CYCLOHEXYLGLYCYL-PYRIDINIOALANINAMIDES Aventis Pharma Deutschland GmbH (DE) 2002-11-06 EP disclosed
US-20010031858-A1 Process for the preparation of acetyl-amidiniophenylalanyl-cyclohexylglycyl-pyridinioalaninamides SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2001-10-18 US disclosed
WO-2001055175-A2 PROCESS FOR THE PREPARATION OF ACETYL-AMIDINIOPHENYLALANYL-CYCLOHEXYLGLYCYL-PYRIDINIOALANINAMIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-02 WO disclosed
EP-0723586-B1 ENZYME AND ITS USE IN PREPARING (S)-PIPECOLIC ACID DARWIN DISCOVERY LTD (GB) 1999-12-22 EP disclosed
US-5849510-A Factor Xa inhibitors SELECTIDE CORPORATION (US) 1998-12-15 US disclosed
EP-0758341-A1 FACTOR Xa INHIBITORS SELECTIDE CORPORATION (US) 1997-02-19 EP disclosed
WO-1995029189-A1 FACTOR Xa INHIBITORS SELECTIDE CORPORATION (US) 1995-11-02 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-20040225109-A1 Process for the preparation of acetyl-amidiniophenylalanyl-cyclohexylglycyl-pyridinioalaninamides SERPINC1, F12, F11 CTSS 746/4885CTSK 1631/4885LMNA 923/4885
US-20010031858-A1 Process for the preparation of acetyl-amidiniophenylalanyl-cyclohexylglycyl-pyridinioalaninamides SERPINC1, F12, F11 CTSS 746/4885CTSK 1631/4885LMNA 923/4885

“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.