SCHEMBL5482062

SCHEMBL5482062

CC1CN(c2ccc(OC(F)(F)F)cc2)CC(C)N1S(=O)(=O)c1cccc(CC(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.57
CHRM2 P08172 4/20 0.45
CHRM1 P11229 3/20 0.45
CHRM5 P08912 1/20 0.45
CHRM3 P20309 1/20 0.45
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
CHRM4 P08173 9/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD11B1 P28845 1/20 0.39
AKR1C3 P42330 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
SCHEMBL14431174 1.00 PPARD (0.57) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL5776832 0.88 HSD11B1 (0.51) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL5776828 0.88 HSD11B1 (0.51) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL13804985 0.88 PPARD (0.44) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL4212951 0.88 PPARD (0.44) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL5480678 0.88 PPARD (0.52) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL13805099 0.87 PPARD (0.43) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL5480059 0.87 PPARD (0.51) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL13805046 0.87 PPARD (0.43) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL5775482 0.87 PPARD (0.51) PPARDCHRM2CHRM1CHRM5CHRM3

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-20070190079-A1 METHODS FOR THE SELECTIVE MODULATION OF PPAR KALYPSYS, INC. (US) 2007-08-16 US disclosed
EP-1735280-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS Kalypsys, Inc. (US) 2006-12-27 EP disclosed
WO-2005115983-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2005-12-08 WO disclosed
US-20050234046-A1 Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders KALYPSYS, INC. (US) 2005-10-20 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 (2 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-20050234046-A1 Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders PPARA, PPARG, PPARD PPARD 3/4885CHRM2 2467/4885CHRM1 3763/4885
US-20070190079-A1 METHODS FOR THE SELECTIVE MODULATION OF PPAR PPARG, PPARA, PPARD PPARD 3/4885CHRM2 908/4885CHRM1 1190/4885

“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.