Sugi Predict

Sugi Predict / Compounds / SCHEMBL5480059

SCHEMBL5480059

SCHEMBL5480059

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 3/20 0.51
▸ SERPINE1 P05121 7/20 0.41
▸ CHRM2 P08172 3/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ PTGDR2 Q9Y5Y4 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PTGDR Q13258 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ PPARG P37231 1/20 0.37
▸ CHRM4 P08173 1/20 0.37

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
SCHEMBL5775482 0.89 PPARD (0.51) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL5482062 0.87 PPARD (0.57) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL14431174 0.87 PPARD (0.57) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL5746202 0.81 PPARD (0.52) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL5481305 0.81 PPARD (0.52) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL5481306 0.81 PPARD (0.52) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL5769660 0.81 AKR1C3 (0.42) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL5776063 0.80 PPARD (0.50) PPARDCHRM2CHRM1CHRM5CHRM3
SCHEMBL5748340 0.79 HSD11B1 (0.47) CHRM2CHRM1CHRM5CHRM3HSD11B1

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 3/4885SERPINE1 3140/4885CHRM2 2467/4885
US-20070190079-A1 METHODS FOR THE SELECTIVE MODULATION OF PPAR PPARG, PPARA, PPARD PPARD 3/4885SERPINE1 3804/4885CHRM2 908/4885

“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.