SCHEMBL3820732

SCHEMBL3820732

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(NS(C)(=O)=O)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.57
ITGB3 P05106 2/20 0.56
ITGA2B P08514 2/20 0.56
ITGB1 P05556 1/20 0.52
ITGAV P06756 1/20 0.52
ITGB5 P18084 1/20 0.52
CTSS P25774 6/20 0.51
CTSK P43235 5/20 0.51
PTPRB P23467 5/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
ITGA4 P13612 1/20 0.49
ITGB7 P26010 1/20 0.49
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
PTPN1 P18031 1/20 0.48
APP P05067 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL31689469 0.89 KLK5 (0.52) ITGB3ITGA2BCTSSCTSKPTPRB
SCHEMBL7742065 0.87 PTPRB (0.49) CTSSCTSKPTPRBCTSLCTSB
SCHEMBL7989052 0.86 ACE (0.58) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL7988307 0.85 ACE (0.60) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL9955453 0.85 ACE (0.59) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL10890972 0.85 ITGB3 (0.61) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL25095270 0.84 ALDH1A1 (0.57) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL7986502 0.83 CTSS (0.57) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL14798516 0.83 ITGB3 (0.62) ACEITGB3ITGA2BITGB1ITGAV
SCHEMBL14798519 0.83 ITGB3 (0.62) ACEITGB3ITGA2BITGB1ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791837-B1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2009-08-19 EP disclosed
US-7371869-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
US-20060063814-A1 Substituted hydantoins GOODNOW ROBERT A JR 2006-03-23 US disclosed
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 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-20060063814-A1 Substituted hydantoins HNMT, MAPK6, KYNU ACE 1332/4885ITGB3 4727/4885ITGA2B 4585/4885

“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.