SCHEMBL3752227

SCHEMBL3752227

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(OCC(F)(F)F)c1ccc(-c2noc(=O)[nH]2)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PPARD Q03181 14/20 0.36
AGTR1 P30556 1/20 0.36
PPARA Q07869 5/20 0.35
PPARG P37231 1/20 0.34
TRPM8 Q7Z2W7 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
SCHEMBL3756351 0.92 PPARD (0.36) PPARDPPARAPPARG
SCHEMBL3752430 0.91 PRKDC (0.37) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL3743853 0.84 NPC1 (0.36) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL3741440 0.84 NPC1 (0.36) NPC1ALDH1A1GAAPPARDAGTR1
SCHEMBL3529648 0.84 TRPM8 (0.36) ALDH1A1AGTR1PPARGTRPM8
SCHEMBL3753667 0.83 PPARD (0.36) NPC1ALDH1A1GAAPPARDAGTR1
SCHEMBL3752220 0.82 PPARD (0.37) NPC1ALDH1A1GAAPPARDAGTR1
SCHEMBL3756342 0.82 PPARD (0.37) NPC1ALDH1A1GAAPPARDAGTR1
SCHEMBL3530133 0.82 PRKDC (0.39) ALDH1A1AGTR1TRPM8
SCHEMBL3745605 0.81 PLAT (0.36) NPC1ALDH1A1GAAPPARDAGTR1

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-1931660-B1 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2012-08-01 EP claimed
EP-1931660-B1 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2012-08-01 EP disclosed
US-7834030-B2 Phenyl-[1,2,4]-oxadiazol-5-one derivatives, pharmaceutical compositions and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-16 US disclosed
US-20080262036-A1 Phenyl-[1,2,4]-oxadiazol-5-one Derivatives, Pharmaceutical Compositions and Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
EP-1931660-A2 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-06-18 EP disclosed
WO-2007039178-A2 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 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-20080262036-A1 Phenyl-[1,2,4]-oxadiazol-5-one Derivatives, Pharmaceutical Compositions and Therapeutic Use Thereof GPR119, CPT1A, PC NPC1 516/4885ALDH1A1 978/4885GAA 801/4885

“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.