SCHEMBL5800472

SCHEMBL5800472

Cc1cc(S(=O)(=O)N2C(C)CN(c3ccc(C(F)(F)F)cn3)CC2C)cc(CC(=O)O)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.44
HCRTR1 O43613 4/20 0.42
HCRTR2 O43614 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PKM P14618 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
SCHEMBL6349104 0.89 HSD11B1 (0.46) HSD11B1HCRTR1HCRTR2SMN1; SMN2HPGD
SCHEMBL5749138 0.89 HSD11B1 (0.46) HSD11B1HCRTR1HCRTR2SMN1; SMN2HPGD
SCHEMBL5474845 0.85 KDM4E (0.54) SMN1; SMN2HPGDLMNAKDM4EHTT
SCHEMBL5777413 0.83 HSD11B1 (0.46) HSD11B1HCRTR1HCRTR2SMN1; SMN2HPGD
SCHEMBL5776867 0.83 HSD11B1 (0.46) HSD11B1HCRTR1HCRTR2SMN1; SMN2HPGD
SCHEMBL5748340 0.83 HSD11B1 (0.47) HSD11B1HCRTR1HCRTR2SMN1; SMN2HPGD
SCHEMBL5750282 0.83 HCRTR1 (0.49) HSD11B1HCRTR1HCRTR2SMN1; SMN2HPGD
SCHEMBL5749711 0.81 HSD11B1 (0.47) HSD11B1HCRTR1HCRTR2HPGDCHRM2
SCHEMBL1470481 0.79 HSD11B1 (0.42) HSD11B1HCRTR1HCRTR2CHRM2CHRM1
SCHEMBL1472588 0.79 HSD11B1 (0.42) HSD11B1HCRTR1HCRTR2CHRM2CHRM1

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 668/4885HCRTR1 1605/4885HCRTR2 1317/4885

“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.