SCHEMBL3744980

SCHEMBL3744980

CCC(F)(F)COC(c1ccc(-c2noc(=O)[nH]2)cc1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
PLA2G2A P14555 6/20 0.37
PLA2G10 O15496 2/20 0.37
PLA2G1B P04054 2/20 0.37
PLA2G5 P39877 2/20 0.37
PPARA Q07869 4/20 0.37
PPARD Q03181 4/20 0.37
BPGM P07738 1/20 0.37
FFAR1 O14842 3/20 0.36
CHRM5 P08912 1/20 0.36
SLC6A3 Q01959 1/20 0.36
RARB P10826 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
KMT2A Q03164 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
SCHEMBL3747892 0.90 PLA2G2A (0.42) ALDH1A1NPC1GAAPLA2G2APLA2G10
SCHEMBL3525623 0.89 ALDH1A1 (0.37) ALDH1A1PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL3748585 0.89 BPGM (0.37) ALDH1A1NPC1GAAPLA2G2APLA2G10
SCHEMBL3752171 0.88 PPARA (0.37) ALDH1A1NPC1GAAPLA2G2APLA2G10
SCHEMBL3743853 0.83 NPC1 (0.36) ALDH1A1NPC1GAAPPARAPPARD
SCHEMBL3753667 0.82 PPARD (0.36) ALDH1A1NPC1GAAPPARAPPARD
SCHEMBL3527489 0.82 BPGM (0.38) ALDH1A1PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL3744972 0.81 PPARD (0.39) ALDH1A1NPC1GAAPLA2G2APLA2G10
SCHEMBL3747886 0.80 PPARD (0.40) ALDH1A1NPC1GAAPLA2G2APLA2G10
SCHEMBL3743783 0.80 PPARD (0.38) ALDH1A1NPC1GAAPLA2G2APLA2G10

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 ALDH1A1 978/4885NPC1 516/4885GAA 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.