SCHEMBL2584592

SCHEMBL2584592

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

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.61
MME P08473 1/20 0.61
CPA1 P15085 1/20 0.61
ACE2 Q9BYF1 1/20 0.61
PPARA Q07869 3/20 0.58
PTPN1 P18031 3/20 0.55
PPARG P37231 2/20 0.54
CTSS P25774 7/20 0.51
CTSK P43235 5/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
SCN9A Q15858 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
ITGA4 P13612 1/20 0.49
ITGB7 P26010 1/20 0.49
TACR1 P25103 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
SCHEMBL28310184 0.91 KLK5 (0.54) ACEMMECPA1ACE2PPARA
SCHEMBL2583495 0.91 KLK5 (0.54) ACEMMECPA1ACE2PPARA
SCHEMBL7720051 0.88 ACE (0.54) ACEMMECPA1ACE2PPARA
SCHEMBL1023002 0.87 ACE (0.54) ACEMMECPA1ACE2PPARA
SCHEMBL19155424 0.87 PPARA (0.53) ACEMMECPA1ACE2PPARA
SCHEMBL23780715 0.87 PPARA (0.53) ACEMMECPA1ACE2PPARA
SCHEMBL1023004 0.87 ACE (0.54) ACEMMECPA1ACE2PPARA
SCHEMBL28956926 0.86 PTPN1 (0.54) ACEMMECPA1ACE2PPARA
SCHEMBL30874994 0.86 JAK3 (0.52) ACEMMECPA1ACE2PPARA
SCHEMBL22143903 0.86 ACE (0.52) ACEMMECPA1ACE2PPARA

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 ACE 1066/4885MME 3334/4885CPA1 1089/4885

“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.