SCHEMBL5748192

SCHEMBL5748192

CC1CN(S(=O)(=O)c2cccc(CC(=O)O)c2)CC(C)N1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HCRTR1 O43613 3/20 0.42
HCRTR2 O43614 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40

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
SCHEMBL5481910 0.88 PPARG (0.41) CYP2C9CYP2C19HCRTR1HCRTR2MEN1
SCHEMBL5749711 0.85 HSD11B1 (0.47) POLBCYP2C9HPGDCYP2C19HCRTR1
SCHEMBL6346422 0.85 F13A1 (0.41) HPGDHCRTR1HCRTR2PTGDR2L3MBTL1
SCHEMBL5748912 0.85 F13A1 (0.41) HPGDHCRTR1HCRTR2PTGDR2L3MBTL1
SCHEMBL5772309 0.83 KDM4E (0.59) CYP2C9HPGDCYP2C19MEN1KMT2A
SCHEMBL5746016 0.80 NR1H2 (0.46) POLBCYP2C9HPGDCYP2C19MEN1
SCHEMBL1469158 0.76 F13A1 (0.40) HCRTR1HCRTR2L3MBTL1CA12CA1
SCHEMBL1469157 0.76 F13A1 (0.40) HCRTR1HCRTR2L3MBTL1CA12CA1
SCHEMBL1470424 0.76 F13A1 (0.40) HCRTR1HCRTR2L3MBTL1CA12CA1
SCHEMBL5748340 0.75 HSD11B1 (0.47) CYP2C9HPGDCYP2C19HCRTR1HCRTR2

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 POLB 3586/4885CYP2C9 925/4885HPGD 1108/4885

“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.