SCHEMBL6417557

SCHEMBL6417557

CSc1cc(SC(C)(C)C(=O)O)c(C)cc1-c1nc(-c2ccc(C(F)(F)F)c(Cl)c2)ns1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.43
PPARD Q03181 9/20 0.38
PPARA Q07869 9/20 0.38
PPARG P37231 3/20 0.38
KMO O15229 2/20 0.37
SCN9A Q15858 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
SCHEMBL4108572 0.76 PPARA (0.61) SLC22A12PPARDPPARAPPARG
SCHEMBL4102961 0.67 PPARA (0.73) PPARDPPARAPPARG
SCHEMBL4107264 0.66 PPARD (0.72) SLC22A12PPARDPPARAPPARG
SCHEMBL4113274 0.65 PPARA (0.78) PPARDPPARAPPARG
SCHEMBL4119347 0.65 PPARD (0.63) PPARDPPARAPPARG
SCHEMBL4114479 0.64 PPARD (0.73) SLC22A12PPARDPPARAPPARG
SCHEMBL4109843 0.64 PPARA (0.66) PPARDPPARAPPARG
SCHEMBL4109730 0.64 PPARD (0.59) SLC22A12PPARDPPARAPPARG
SCHEMBL4119250 0.64 PPARA (0.65) PPARDPPARAPPARGKMO
SCHEMBL4114741 0.63 PPARD (0.83) PPARDPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050096362-A1 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-05 US claimed

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-20050096362-A1 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD SLC22A12 1529/4885PPARD 3/4885PPARA 1/4885

“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.