SCHEMBL5747281

SCHEMBL5747281

COC(=O)Cc1cc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2C)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
HSD11B1 P28845 7/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA4 P22748 2/20 0.41
CA7 P43166 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
TRPA1 O75762 1/20 0.41

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
SCHEMBL5747494 0.91 CXCR3 (0.47) CXCR3CHRM2CHRM1SMN1; SMN2HPGD
SCHEMBL5748046 0.85 SMN1; SMN2 (0.43) SMN1; SMN2HPGDCA12CA1CA2
SCHEMBL5746828 0.85 SMN1; SMN2 (0.43) SMN1; SMN2HPGDCA12CA1CA2
SCHEMBL6354804 0.85 SMN1; SMN2 (0.43) SMN1; SMN2HPGDCA12CA1CA2
SCHEMBL5748862 0.84 CXCR3 (0.46) CXCR3F13A1TGM2TGM1KDM4E
SCHEMBL5745087 0.84 HCRTR1 (0.45) CXCR3CHRM2CHRM1SMN1; SMN2HPGD
SCHEMBL27754688 0.83 SMN1; SMN2 (0.43) SMN1; SMN2HPGDCA12CA1CA2
SCHEMBL27734620 0.83 SMN1; SMN2 (0.43) SMN1; SMN2HPGDCA12CA1CA2
SCHEMBL5749321 0.81 HSD11B1 (0.46) SMN1; SMN2HPGDHSD11B1CA12CA1
SCHEMBL5746954 0.81 NR1H2 (0.47) SMN1; SMN2HPGDCA12CA1CA2

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 CXCR3 3739/4885CHRM2 2467/4885CHRM1 3763/4885

“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.