SCHEMBL7004802

SCHEMBL7004802

CCOC(Cc1ccc(OCCn2c(CC)nc(-c3ccccc3)cc2=O)cc1)C(=O)ONC(N)=NN

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.45
PPARG P37231 17/20 0.45
PPARD Q03181 2/20 0.45
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
PDE4A P27815 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL5659043 0.88 PPARA (0.52) PPARAPPARGPPARDPGRADORA3
SCHEMBL5657691 0.86 PPARG (0.60) PPARAPPARGPPARDPGRADORA3
SCHEMBL14602220 0.86 PPARG (0.60) PPARAPPARGPPARDPGRADORA3
SCHEMBL14602219 0.86 PPARG (0.60) PPARAPPARGPPARDPGRADORA3
Pimagedine SCHEMBL7004799 0.86 PPARG (0.53) PPARAPPARGPPARDPGRADORA3
SCHEMBL7009193 0.85 PPARG (0.59) PPARAPPARGPPARDPGRADORA3
SCHEMBL7009669 0.85 PPARG (0.59) PPARAPPARGPPARDPGRADORA3
SCHEMBL7004233 0.85 PPARG (0.59) PPARAPPARGPPARDPGRADORA3
SCHEMBL7004348 0.85 PPARG (0.59) PPARAPPARGPPARDPGRADORA3
SCHEMBL7010493 0.85 PPARG (0.59) PPARAPPARGPPARDPGRADORA3

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-1363913-A2 SALTS OF PYRIMIDINE DERIVATIVES FOR USE AGAINST CORONARY HEART DISEASE AND ATHEROSCLEROSE Dr. Reddy's Laboratories Ltd. (IN) 2003-11-26 EP claimed
US-20020169175-A1 Pharmaceutically acceptable salts of heterocyclic compounds DR. REDDY'S LABORATORIES LTD. 2002-11-14 US claimed
WO-2002062798-A2 SALTS OF PYRIMIDINE DERIVATIVES FOR USE AGAINST CORONARY HEART DISEASE AND ATHEROSCLEROSE DR. REDDY'S LABORATORIES LTD. (IN) 2002-08-15 WO claimed
EP-1363913-A2 SALTS OF PYRIMIDINE DERIVATIVES FOR USE AGAINST CORONARY HEART DISEASE AND ATHEROSCLEROSE Dr. Reddy's Laboratories Ltd. (IN) 2003-11-26 EP disclosed
US-20020169175-A1 Pharmaceutically acceptable salts of heterocyclic compounds DR. REDDY'S LABORATORIES LTD. 2002-11-14 US disclosed
WO-2002062798-A2 SALTS OF PYRIMIDINE DERIVATIVES FOR USE AGAINST CORONARY HEART DISEASE AND ATHEROSCLEROSE DR. REDDY'S LABORATORIES LTD. (IN) 2002-08-15 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-20020169175-A1 Pharmaceutically acceptable salts of heterocyclic compounds CYP3A43, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 PPARA 1237/4885PPARG 549/4885PPARD 399/4885

“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.