SCHEMBL2583495

SCHEMBL2583495

COC(=O)C(Cc1ccccc1OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.54
TACR1 P25103 2/20 0.54
ITGA4 P13612 1/20 0.53
ITGB7 P26010 1/20 0.53
PPARA Q07869 2/20 0.51
ACE P12821 2/20 0.51
MME P08473 1/20 0.51
CPA1 P15085 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
KLK7 P49862 1/20 0.49
CTSS P25774 6/20 0.49
CTSK P43235 4/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
EPHX2 P34913 1/20 0.48
CACNA1B Q00975 1/20 0.47
PPARG P37231 1/20 0.47
YAP1 P46937 1/20 0.47
BCL2 P10415 1/20 0.46
PTPN1 P18031 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
SCHEMBL28310184 1.00 KLK5 (0.54) KLK5TACR1ITGA4ITGB7PPARA
SCHEMBL2584592 0.91 ACE (0.61) TACR1ITGA4ITGB7PPARAACE
SCHEMBL28906216 0.89 TACR1 (0.55) KLK5TACR1ITGA4ITGB7PPARA
SCHEMBL19155378 0.89 TACR1 (0.55) KLK5TACR1ITGA4ITGB7PPARA
SCHEMBL23605449 0.88 KLK5 (0.52) KLK5TACR1ITGA4ITGB7PPARA
SCHEMBL23574660 0.88 KLK5 (0.52) KLK5TACR1ITGA4ITGB7PPARA
SCHEMBL31725869 0.87 KLK5 (0.51) KLK5TACR1ITGA4ITGB7PPARA
SCHEMBL30874994 0.86 JAK3 (0.52) TACR1ITGA4ITGB7PPARAACE
SCHEMBL23574659 0.86 KLK5 (0.52) KLK5TACR1ITGA4ITGB7PPARA
SCHEMBL31725783 0.86 KLK5 (0.52) KLK5TACR1ITGA4ITGB7PPARA

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-1893634-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-21 EP disclosed
US-8048881-B2 Uding 4-aminocarbonyl-pyrimidine; vascular disorders; cardiovascular disorders; thrombosis; brain disorders; vision defects ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-01 US disclosed
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 US disclosed
EP-1893634-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
WO-2006114774-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-11-02 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 (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-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists P2RY12, P2RY13, P2RY4 KLK5 3690/4885TACR1 251/4885ITGA4 513/4885

“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.