SCHEMBL7096087

SCHEMBL7096087

CCOC(Cc1ccc(OCCn2c(CC)nc3ccccc3c2=O)cc1)C(=O)OC(=O)[C@H](CCC(N)=O)NC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.47
PPARA Q07869 12/20 0.47
PPARD Q03181 2/20 0.47
ACKR3 P25106 4/20 0.39
MAPT P10636 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7096089 0.91 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL7096085 0.91 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL7097838 0.90 PPARG (0.43) PPARGPPARAPPARDACKR3MAPT
SCHEMBL7150115 0.87 PPARA (0.43) PPARGPPARAPPARD
SCHEMBL6555809 0.84 PPARA (0.58) PPARGPPARAPPARDMAPTGAA
SCHEMBL7097843 0.83 PPARG (0.49) PPARGPPARAPPARD
SCHEMBL7097842 0.83 PPARG (0.49) PPARGPPARAPPARD
SCHEMBL7005331 0.83 PPARG (0.48) PPARGPPARAPPARDACKR3MAPT
SCHEMBL6555767 0.82 PPARG (0.68) PPARGPPARAPPARD
SCHEMBL7006542 0.82 PPARG (0.45) PPARGPPARAPPARDACKR3MAPT

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 PPARG 549/4885PPARA 1237/4885PPARD 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.