SCHEMBL489661

SCHEMBL489661

CCCCCCCCCCCCCCCc1cccc(OC)c1C1C(C(=O)O)=C(C)NC(=S)N1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.51
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
PPARG P37231 3/20 0.42
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.39
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38

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
SCHEMBL6257510 1.00 PPARA (0.51) PPARAALOX5PTGS2PPARGATM
SCHEMBL3527456 0.92 PPARA (0.43) PPARAPPARGALDH1A1BIDMCL1
SCHEMBL6699278 0.92 PPARA (0.43) PPARAPPARGALDH1A1BIDMCL1
SCHEMBL6179925 0.91 PPARA (0.52) PPARAALOX5PTGS2PPARGBID
SCHEMBL6176961 0.90 PPARA (0.41) PPARAPPARGALDH1A1BIDMCL1
SCHEMBL6176901 0.90 PPARA (0.41) PPARAPPARGALDH1A1BIDMCL1
SCHEMBL3524664 0.85 CACNA1F (0.54) PPARAATMALDH1A1CACNA1FCACNA1D
SCHEMBL3521495 0.85 CACNA1F (0.54) PPARAATMALDH1A1CACNA1FCACNA1D
SCHEMBL3524654 0.83 ATM (0.49) PPARAATMALDH1A1CACNA1FCACNA1D
SCHEMBL489242 0.82 CACNA1F (0.53) PPARAATMALDH1A1CACNA1FCACNA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542683-A2 CALCIUM CHANNEL BLOCKERS Diakron Pharmaceuticals, Inc. (US) 2005-06-22 EP claimed
WO-2004024153-A2 CALCIUM CHANNEL BLOCKERS DIAKRON PHARMACEUTICALS, INC. (US) 2004-03-25 WO claimed
US-20040058942-A1 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcuim channel blockers PULLELA PHANI KUMAR (US) 2004-03-25 US claimed
EP-1515723-B1 SUBSTITUTED DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENT RES FOUNDATION (IN) 2014-02-12 EP disclosed
US-8106062-B1 Calcium channel blockers DIAKRON PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20040058942-A1 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcuim channel blockers PULLELA PHANI KUMAR (US) 2004-03-25 US 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-20040058942-A1 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcuim channel blockers ORAI1, CACNA1B, CACNA1I PPARA 3062/4885ALOX5 826/4885PTGS2 598/4885

“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.