SCHEMBL5776828

SCHEMBL5776828

CC1CN(c2ccc(OC(F)(F)F)cc2)CCN1S(=O)(=O)c1cccc(CC(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.51
CHRM2 P08172 2/20 0.51
CHRM1 P11229 2/20 0.51
CHRM5 P08912 1/20 0.51
CHRM3 P20309 1/20 0.51
PPARD Q03181 1/20 0.49
PTGDR Q13258 1/20 0.46
NR1H2 P55055 2/20 0.46
NR1H3 Q13133 2/20 0.46

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
SCHEMBL5776832 1.00 HSD11B1 (0.51) HSD11B1CHRM2CHRM1CHRM5CHRM3
SCHEMBL6353286 0.89 HSD11B1 (0.51) HSD11B1CHRM2CHRM1CHRM5CHRM3
SCHEMBL6353284 0.89 HSD11B1 (0.51) HSD11B1CHRM2CHRM1CHRM5CHRM3
SCHEMBL14431174 0.88 PPARD (0.57) HSD11B1CHRM2CHRM1CHRM5CHRM3
SCHEMBL5482062 0.88 PPARD (0.57) HSD11B1CHRM2CHRM1CHRM5CHRM3
SCHEMBL6348336 0.85 HSD11B1 (0.53) HSD11B1CHRM2CHRM1CHRM5CHRM3
SCHEMBL6348338 0.85 HSD11B1 (0.53) HSD11B1CHRM2CHRM1CHRM5CHRM3
SCHEMBL5475523 0.84 HTT (0.51) PTGDR
SCHEMBL6359905 0.83 HSD11B1 (0.56) HSD11B1
SCHEMBL6359906 0.83 HSD11B1 (0.56) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20050234046-A1 Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders PPARA, PPARG, PPARD HSD11B1 668/4885CHRM2 2467/4885CHRM1 3763/4885

“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.