SCHEMBL6100671

SCHEMBL6100671

CCCc1c(O[C@H]2CCC[C@@H]2COS(C)(=O)=O)ccc2c(C(F)(F)F)noc12

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.49
PPARG P37231 8/20 0.49
NR1H3 Q13133 15/20 0.47
NR1H2 P55055 13/20 0.47
PPARD Q03181 7/20 0.45

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
SCHEMBL6100674 1.00 PPARA (0.49) PPARAPPARGNR1H3NR1H2PPARD
SCHEMBL6099444 0.98 PPARA (0.49) PPARAPPARGNR1H3NR1H2PPARD
SCHEMBL6100913 0.98 PPARA (0.49) PPARAPPARGNR1H3NR1H2PPARD
SCHEMBL6100461 0.86 NR1H3 (0.47) PPARAPPARGNR1H3NR1H2PPARD
SCHEMBL6099020 0.85 PPARA (0.53) PPARAPPARGNR1H3NR1H2PPARD
SCHEMBL6099026 0.85 PPARA (0.53) PPARAPPARGNR1H3NR1H2PPARD
SCHEMBL6099024 0.85 PPARA (0.53) PPARAPPARGNR1H3NR1H2PPARD
SCHEMBL6101876 0.84 NR1H3 (0.46) PPARAPPARGNR1H3NR1H2PPARD
SCHEMBL6098626 0.84 NR1H3 (0.46) PPARAPPARGNR1H3NR1H2PPARD
SCHEMBL6101880 0.84 NR1H3 (0.46) PPARAPPARGNR1H3NR1H2PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125865-B2 Therapeutic compounds for treating dyslipidemic conditions MERCK & CO., INC. (US) 2006-10-24 US disclosed
US-20050239769-A1 Therapeutic compounds for treating dyslipidemic conditions MERCK SHARP & DOHME CORP. 2005-10-27 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-20050239769-A1 Therapeutic compounds for treating dyslipidemic conditions NR1H2, NR1H3, LDLR PPARA 119/4885PPARG 96/4885NR1H3 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.