SCHEMBL13847951

SCHEMBL13847951

OCCc1nc(-c2ccc(C(F)(F)F)cc2)ns1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.47
PPARA Q07869 5/20 0.47
PPARG P37231 2/20 0.47
KIF11 P52732 2/20 0.41
TRPV3 Q8NET8 10/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 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
SCHEMBL4109809 0.88 PPARD (0.48) PPARDPPARAPPARGKIF11TRPV3
SCHEMBL4119348 0.85 SIRT2 (0.48) PPARDPPARAPPARGKIF11TRPV3
SCHEMBL12151278 0.81 PPARD (0.46) PPARDPPARAPPARGKIF11SIRT2
SCHEMBL13334280 0.81 PPARD (0.46) PPARDPPARAPPARGKIF11SIRT2
SCHEMBL12151189 0.81 PPARD (0.48) PPARDPPARAPPARGKIF11TRPV3
SCHEMBL12151052 0.78 PPARD (0.51) PPARDPPARAPPARGKIF11TRPV3
SCHEMBL23862105 0.74 PPARD (0.51) PPARDPPARAPPARGTRPV3
SCHEMBL4101432 0.74 PPARA (0.64) PPARDPPARAPPARGKIF11
SCHEMBL4114514 0.73 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL4190251 0.73 HDAC1 (0.60) PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS KUO GEE-HONG 2009-05-21 US disclosed
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS KUO GEE-HONG 2009-05-21 US disclosed
US-7498351-B2 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-03 US disclosed
US-7498351-B2 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-03 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-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD PPARD 3/4885PPARA 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.