SCHEMBL6780496

SCHEMBL6780496

Cc1oc(-c2ccc(N(C)C)cc2)nc1Cc1ccc(/C=C/CSC(C)(C)C(=O)O)o1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
PPARA Q07869 14/20 0.35
PPARG P37231 13/20 0.35
PPARD Q03181 4/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
HPGD P15428 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
SCHEMBL6780504 1.00 KDM4E (0.36) KDM4EPPARAPPARGPPARDRAB9A
SCHEMBL6775375 0.90 HSD17B10 (0.38) KDM4EPPARAPPARGPPARDRAB9A
SCHEMBL6775374 0.90 HSD17B10 (0.38) KDM4EPPARAPPARGPPARDRAB9A
SCHEMBL6776054 0.85 KDM4E (0.39) KDM4EPPARAPPARGRAB9ANPC1
SCHEMBL6776046 0.85 KDM4E (0.39) KDM4EPPARAPPARGRAB9ANPC1
SCHEMBL6774696 0.83 MAPK1 (0.39) KDM4EPPARAPPARGRAB9ANPC1
SCHEMBL6774700 0.83 MAPK1 (0.39) KDM4EPPARAPPARGRAB9ANPC1
SCHEMBL6774046 0.82 SLC22A12 (0.33) PPARAPPARGPPARDSLC22A12
SCHEMBL6774058 0.82 SLC22A12 (0.33) PPARAPPARGPPARDSLC22A12
SCHEMBL6771328 0.81 HSD17B10 (0.41) KDM4ELMNAHPGD

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 7 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
EP-1122255-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-08-08 EP 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 KDM4E 2139/4885PPARA 1/4885PPARG 2/4885

“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.