SCHEMBL6763708

SCHEMBL6763708

CC(C)(C)OC(=O)Nc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.60
ITGA2B P08514 8/20 0.60
ACE P12821 1/20 0.58
PPARA Q07869 1/20 0.56
ITGAV P06756 2/20 0.55
ITGB1 P05556 1/20 0.54
ITGB5 P18084 1/20 0.54
PTPN1 P18031 1/20 0.54
SYK P43405 1/20 0.54
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53
CTSK P43235 1/20 0.53
KDM1A O60341 3/20 0.53
MAOA P21397 2/20 0.53
KDM1B Q8NB78 1/20 0.53
RCOR1 Q9UKL0 1/20 0.53
HDAC8 Q9BY41 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL7240841 0.96 ACE (0.61) ITGB3ITGA2BACEPPARAITGAV
SCHEMBL7240844 0.96 ACE (0.61) ITGB3ITGA2BACEPPARAITGAV
SCHEMBL2308786 0.93 ACE (0.58) ITGB3ITGA2BACEPPARAITGAV
SCHEMBL3728823 0.93 ACE (0.58) ITGB3ITGA2BACEPPARAITGAV
SCHEMBL2308782 0.93 ACE (0.58) ITGB3ITGA2BACEPPARAITGAV
SCHEMBL7357956 0.90 ITGB3 (0.61) ITGB3ITGA2BITGAVKDM1AMAOA
SCHEMBL2367199 0.89 ITGB3 (0.60) ITGB3ITGA2BACEPPARAITGAV
SCHEMBL2366818 0.89 ITGB3 (0.60) ITGB3ITGA2BACEPPARAITGAV
SCHEMBL10890972 0.88 ITGB3 (0.61) ITGB3ITGA2BACEPPARAITGAV
SCHEMBL7259295 0.88 ACE (0.58) ITGB3ITGA2BACEPPARAITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716843-B2 INHIBITOR OF DIPEPTIDYL-PEPTIDASE IV LES LABORATOIRES SERVIER (FR) 2004-04-06 US disclosed
US-20030087950-A1 New alpha-amino acid sulphonyl compounds LES LABORATOIRES SERVIER (FR) 2003-05-08 US disclosed
EP-1245568-A1 Sulfonyl derivatives of amino acids and their use as inhibitors of dipeptidyl-peptidase IV (DPP IV) Les Laboratoires Servier (FR) 2002-10-02 EP 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-20030087950-A1 New alpha-amino acid sulphonyl compounds DNPEP, DPP4, DPP7 ITGB3 2050/4885ITGA2B 1751/4885ACE 64/4885

“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.