SCHEMBL6176901

SCHEMBL6176901

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.40
CACNA1F O60840 8/20 0.38
CACNA1D Q01668 8/20 0.38
CACNA1S Q13698 8/20 0.38
CACNA1C Q13936 8/20 0.38
ALDH1A1 P00352 1/20 0.37
KIF11 P52732 2/20 0.37
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
KAT8 Q9H7Z6 2/20 0.36
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT5 Q92993 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35

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
SCHEMBL6176961 1.00 PPARA (0.41) PPARAPPARGCACNA1FCACNA1DCACNA1S
SCHEMBL489661 0.90 PPARA (0.51) PPARAPPARGCACNA1FCACNA1DCACNA1S
SCHEMBL6257510 0.90 PPARA (0.51) PPARAPPARGCACNA1FCACNA1DCACNA1S
SCHEMBL3527456 0.90 PPARA (0.43) PPARAPPARGCACNA1FCACNA1DCACNA1S
SCHEMBL6699278 0.90 PPARA (0.43) PPARAPPARGCACNA1FCACNA1DCACNA1S
SCHEMBL3525733 0.86 CACNA1F (0.54) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL3521611 0.86 CACNA1F (0.54) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL3524822 0.84 KIF11 (0.46) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL489452 0.84 CACNA1F (0.52) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL17999006 0.83 PPARA (0.47) PPARAPPARGBIDMCL1BCL2L1

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 8 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
EP-1515723-A2 SUBSTITUTED DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2005-03-23 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
WO-2003105854-A2 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2003-12-24 WO claimed
EP-1515723-B1 SUBSTITUTED DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENT RES FOUNDATION (IN) 2014-02-12 EP disclosed
EP-1515723-A2 SUBSTITUTED DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2005-03-23 EP disclosed
WO-2003105854-A2 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2003-12-24 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-20040058942-A1 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcuim channel blockers ORAI1, CACNA1B, CACNA1I PPARA 3062/4885PPARG 4016/4885CACNA1F 16/4885

“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.