SCHEMBL6766563

SCHEMBL6766563

CC(C)(C)OC(=O)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.65
ITGA2B P08514 1/20 0.65
TGM2 P21980 17/20 0.56
F13A1 P00488 2/20 0.56
TGM1 P22735 2/20 0.56
TGM6 O95932 1/20 0.56
KLK7 P49862 1/20 0.53
KLK5 Q9Y337 1/20 0.53
SYK P43405 1/20 0.53

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
SCHEMBL13598866 1.00 ITGB3 (0.65) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL5712251 0.96 ITGB3 (0.70) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL12243572 0.92 ITGB3 (0.61) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL21009799 0.89 ITGB3 (0.62) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL19707914 0.89 ITGB3 (0.62) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL28290512 0.88 ITGB3 (0.61) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL28290510 0.88 ITGB3 (0.61) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL6793017 0.87 SYK (0.61) ITGB3ITGA2BSYK
SCHEMBL6445875 0.86 TGM2 (0.58) ITGB3ITGA2BTGM2F13A1TGM1
SCHEMBL1021938 0.86 SYK (0.60) ITGB3ITGA2BTGM2KLK7KLK5

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 1751/4885TGM2 550/4885

“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.