SCHEMBL4330014

SCHEMBL4330014

CCCCCCc1nc(-c2ccc(C)cc2)sc1C=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.43
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALOX5 P09917 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
GAA P10253 2/20 0.37
COMT P21964 1/20 0.36
GCGR P47871 1/20 0.36
NPC1 O15118 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
DPP4 P27487 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 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
SCHEMBL4322468 0.91 PPARA (0.40) PPARARAB9AKDM4EALOX5TRPM8
SCHEMBL19936638 0.88 AGER (0.43) RAB9AKDM4ETRPM8GAANPC1
SCHEMBL12641921 0.74 RAB9A (0.54) RAB9AKDM4EALOX5TRPM8GAA
SCHEMBL7186350 0.71 ALDH1A1 (0.41) RAB9AKDM4EALDH1A1SMN1; SMN2HIF1A
SCHEMBL16398461 0.71 MAPT (0.43) RAB9AKDM4EALOX5TRPM8GAA
SCHEMBL13505969 0.70 GCGR (0.44) RAB9AKDM4EGAAGCGRNPC1
SCHEMBL13325299 0.70 COMT (0.39) PPARARAB9AKDM4EALOX5GAA
SCHEMBL12973024 0.69 RAB9A (0.45) RAB9AKDM4EGAACOMTNPC1
SCHEMBL15164267 0.69 RAB9A (0.54) RAB9AKDM4EGCGRNPC1ATM
SCHEMBL27629310 0.69 DHFR (0.47) PPARAGCGRSMN1; SMN2MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2014652-B1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR NIPPON CHEMIPHAR CO (JP) 2014-08-06 EP disclosed
US-20130217734-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR DELTA NIPPON CHEMIPHAR CO., LTD. (JP) 2013-08-22 US disclosed
US-8404726-B2 Activating agent for peroxisome proliferator activated receptor δ NIPPON CHEMIPHAR CO. LTD. (JP) 2013-03-26 US disclosed
US-20090298896-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR DELTA NIPPON CHEMIPHAR CO. LTD 2009-12-03 US disclosed
EP-2014652-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR Nippon Chemiphar Co., Ltd. (JP) 2009-01-14 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 (2 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-20090298896-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR DELTA PPARA, PPARG, PPARD PPARA 1/4885RAB9A 2594/4885KDM4E 3972/4885
US-20130217734-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR DELTA PPARA, PPARG, PPARD PPARA 1/4885RAB9A 2594/4885KDM4E 3972/4885

“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.