SCHEMBL5750282

SCHEMBL5750282

COc1ccc(S(=O)(=O)N2C(C)CN(c3ccc(C(F)(F)F)cn3)CC2C)cc1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.49
HCRTR2 O43614 4/20 0.49
HSD11B1 P28845 2/20 0.44
SLC6A9 P48067 1/20 0.41
KCNH2 Q12809 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ABL1 P00519 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PKM P14618 1/20 0.39
GAA P10253 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38

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
SCHEMBL5749076 0.92 HCRTR1 (0.48) HCRTR1HCRTR2HSD11B1SLC6A9KCNH2
SCHEMBL5745087 0.89 HCRTR1 (0.45) HCRTR1HCRTR2HSD11B1SLC6A9KCNH2
SCHEMBL5771120 0.89 CHRM2 (0.41) HCRTR1HCRTR2HSD11B1CHRM2CHRM1
SCHEMBL6349104 0.89 HSD11B1 (0.46) HCRTR1HCRTR2HSD11B1HPGDSMN1; SMN2
SCHEMBL5749138 0.89 HSD11B1 (0.46) HCRTR1HCRTR2HSD11B1HPGDSMN1; SMN2
SCHEMBL5747362 0.85 KDM4E (0.56) HCRTR1HCRTR2SLC6A9KCNH2SLC6A5
SCHEMBL5796696 0.85 HCRTR1 (0.54) HCRTR1HCRTR2HSD11B1HPGDSMN1; SMN2
SCHEMBL5800472 0.83 HSD11B1 (0.44) HCRTR1HCRTR2HSD11B1HPGDSMN1; SMN2
SCHEMBL5774048 0.83 HSD11B1 (0.45) HCRTR1HCRTR2HSD11B1HPGDSMN1; SMN2
SCHEMBL1470481 0.83 HSD11B1 (0.42) HCRTR1HCRTR2HSD11B1GPR119KDM4E

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 HCRTR1 1605/4885HCRTR2 1317/4885HSD11B1 668/4885

“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.