SCHEMBL5776867

SCHEMBL5776867

Cc1cc(CC(=O)O)cc(S(=O)(=O)N2[C@@H](C)CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
PPARG P37231 5/20 0.44
PPARD Q03181 5/20 0.44
PPARA Q07869 5/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
HCRTR1 O43613 3/20 0.42
HCRTR2 O43614 3/20 0.42
HPGD P15428 1/20 0.41
CHRM5 P08912 1/20 0.39
CHRM3 P20309 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
SCHEMBL5777413 1.00 HSD11B1 (0.46) HSD11B1PPARGPPARDPPARAMEN1
SCHEMBL5748340 0.93 HSD11B1 (0.47) HSD11B1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL5749711 0.88 HSD11B1 (0.47) HSD11B1CYP2C9CYP2C19CHRM2CHRM1
SCHEMBL5481910 0.86 PPARG (0.41) HSD11B1PPARGPPARDPPARAMEN1
SCHEMBL5796493 0.84 KDM4E (0.57) PPARGPPARDPPARAMEN1CYP1A2
SCHEMBL6349104 0.84 HSD11B1 (0.46) HSD11B1PPARGPPARDPPARAKDM4E
SCHEMBL5749138 0.84 HSD11B1 (0.46) HSD11B1PPARGPPARDPPARAKDM4E
SCHEMBL5800472 0.83 HSD11B1 (0.44) HSD11B1PPARGPPARDPPARAMEN1
SCHEMBL13805010 0.81 PPARD (0.49) PPARGPPARDPPARAKDM4EGPR119
SCHEMBL5768967 0.81 PPARG (0.41) PPARGPPARDPPARAMEN1CYP1A2

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 668/4885PPARG 2/4885PPARD 3/4885

“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.