SCHEMBL6776581

SCHEMBL6776581

Cc1oc(-c2ccc(N(C)C)cc2)nc1Cc1ccc(C=CCSC2(C(=O)O)CCC2)o1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.37
PPARG P37231 11/20 0.37
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL6776575 1.00 PPARA (0.37) PPARAPPARGKDM4ENPC1RAB9A
SCHEMBL7052381 0.90 HSD17B10 (0.38) PPARAPPARGKDM4ENPC1RAB9A
SCHEMBL7052376 0.90 HSD17B10 (0.38) PPARAPPARGKDM4ENPC1RAB9A
SCHEMBL6775208 0.85 MAPK1 (0.38) PPARAPPARGKDM4ENPC1RAB9A
SCHEMBL6775213 0.85 MAPK1 (0.38) PPARAPPARGKDM4ENPC1RAB9A
SCHEMBL6776080 0.83 PPARA (0.31) PPARA
SCHEMBL6776069 0.83 PPARA (0.31) PPARA
SCHEMBL6776054 0.83 KDM4E (0.39) PPARAPPARGKDM4ENPC1RAB9A
SCHEMBL6776046 0.83 KDM4E (0.39) PPARAPPARGKDM4ENPC1RAB9A
SCHEMBL6780504 0.81 KDM4E (0.36) PPARAPPARGKDM4ENPC1RAB9A

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
US-20030225145-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2003-12-04 US claimed
US-6589969-B1 A peroxisome proliferator activated receptor regulator containing a compound of formula (I) Because of having an effect of regulating PPAR, a compound of formula (I) is useful as a hypoglycemic agent, a hypolipidemic agent, a preventive ONO PHARMACEUTICAL CO., LTD. (JP) 2003-07-08 US claimed
EP-1122255-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-08-08 EP claimed
US-6821994-B2 A PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR REGULATOR, AN OXAZOL-4-YL-METHYLFURAN-2-YL-2-PROPENYLTHIO- OR SULFONYL- OR SULFINYL-ACETIC ACID OR METHYL ESTER ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-23 US disclosed
US-20030225145-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2003-12-04 US disclosed
US-6589969-B1 A peroxisome proliferator activated receptor regulator containing a compound of formula (I) Because of having an effect of regulating PPAR, a compound of formula (I) is useful as a hypoglycemic agent, a hypolipidemic agent, a preventive ONO PHARMACEUTICAL CO., LTD. (JP) 2003-07-08 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-20030225145-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient PPARA, PPARG, PPARD PPARA 1/4885PPARG 2/4885KDM4E 2139/4885

“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.