SCHEMBL6408558

SCHEMBL6408558

CCc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cn2)C(C)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 9/20 0.48
SGPL1 O95470 1/20 0.42
PKM P14618 2/20 0.42
NR1H2 P55055 4/20 0.41
NR1H3 Q13133 4/20 0.41
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
GCKR Q14397 1/20 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
SCHEMBL6408554 0.86 CXCR3 (0.48) CXCR3SGPL1NR1H2NR1H3GCKR
SCHEMBL5480564 0.81 CXCR3 (0.48) CXCR3SGPL1NR1H2NR1H3GCKR
SCHEMBL6356889 0.81 CXCR3 (0.48) CXCR3SGPL1NR1H2NR1H3GCKR
SCHEMBL6357386 0.81 CXCR3 (0.48) CXCR3SGPL1NR1H2NR1H3GCKR
SCHEMBL5748667 0.74 PKM (0.55) PKMHCRTR1HCRTR2
SCHEMBL5748862 0.74 CXCR3 (0.46) CXCR3NR1H2NR1H3GCKR
SCHEMBL5748192 0.73 POLB (0.44) NR1H2NR1H3HCRTR1HCRTR2CHRM2
SCHEMBL5795980 0.73 CXCR3 (0.48) CXCR3NR1H2NR1H3GCKR
SCHEMBL5481910 0.72 PPARG (0.41) CXCR3HCRTR1HCRTR2
SCHEMBL5796696 0.72 HCRTR1 (0.54) PKMHCRTR1HCRTR2CHRM2CHRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3739/4885SGPL1 326/4885PKM 660/4885

“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.