SCHEMBL3851691

SCHEMBL3851691

CCCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1cccc(CCC(=O)NN)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.48
PPARA Q07869 10/20 0.48
PPARG P37231 7/20 0.48
FFAR1 O14842 6/20 0.43
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL1554504 0.90 PPARD (0.49) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL14567881 0.90 PPARD (0.60) PPARDPPARAPPARGFFAR1
SCHEMBL12708326 0.85 PPARD (0.51) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL1554488 0.85 PPARD (0.58) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL1553680 0.81 PPARD (0.47) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL1385919 0.79 PPARD (0.41) PPARDPPARAPPARGFFAR1
SCHEMBL3537625 0.78 PPARD (0.49) PPARDPPARAPPARGFFAR1
SCHEMBL1552975 0.77 PPARD (0.59) PPARDPPARAPPARGFFAR1
SCHEMBL1553871 0.77 PPARD (0.48) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL5514653 0.77 PPARD (0.78) PPARDPPARAPPARGFFAR1

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
EP-1735303-B1 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF AVENTIS PHARMA INC (US) 2011-04-27 EP disclosed
US-7576109-B2 1,3,4-oxadiazol-2-ones as PPAR delta modulators and their use thereof AVENTIS PHARMACEUTICALS INC. (US) 2009-08-18 US disclosed
US-7576109-B2 1,3,4-oxadiazol-2-ones as PPAR delta modulators and their use thereof AVENTIS PHARMACEUTICALS INC. (US) 2009-08-18 US disclosed
US-7576109-B2 1,3,4-oxadiazol-2-ones as PPAR delta modulators and their use thereof AVENTIS PHARMACEUTICALS INC. (US) 2009-08-18 US disclosed
US-20070060626-A1 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2007-03-15 US disclosed
US-20070060626-A1 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2007-03-15 US disclosed
US-20070060626-A1 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2007-03-15 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-20070060626-A1 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF PPARD, PPARA, PPARG PPARD 1/4885PPARA 2/4885PPARG 3/4885

“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.