SCHEMBL5775482

SCHEMBL5775482

CC1CN(c2ccc(OC(F)(F)F)cc2)CC(C)N1S(=O)(=O)c1cc(Br)cc(CC(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.51
CHRM2 P08172 3/20 0.40
CHRM1 P11229 2/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
HSD11B1 P28845 1/20 0.38
MAPT P10636 1/20 0.38
CHRM4 P08173 7/20 0.37
LIPE Q05469 1/20 0.37
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35

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
SCHEMBL5480678 0.90 PPARD (0.52) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL5480059 0.89 PPARD (0.51) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL14431174 0.87 PPARD (0.57) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL5482062 0.87 PPARD (0.57) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL5776063 0.84 PPARD (0.50) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL5750084 0.83 PTGDR (0.48) MAPTCHRM4LIPEHDAC3HDAC4
SCHEMBL5481305 0.81 PPARD (0.52) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL5769660 0.81 AKR1C3 (0.42) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL5746202 0.81 PPARD (0.52) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL5481306 0.81 PPARD (0.52) 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 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 PPARD 3/4885CHRM2 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.