SCHEMBL12690489

SCHEMBL12690489

CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2-n2cnc3nc(N)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.49
HSD17B2 P37059 3/20 0.49
CCR9 P51686 16/20 0.45

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
SCHEMBL2981244 0.85 PIK3CD (0.49) PIK3CDHSD17B2CCR9
SCHEMBL2976044 0.85 CCR9 (0.51) HSD17B2CCR9
SCHEMBL2975323 0.81 CCR9 (0.48) PIK3CDHSD17B2CCR9
SCHEMBL2972098 0.77 CCR9 (0.48) PIK3CDHSD17B2CCR9
SCHEMBL2977421 0.77 HSD17B2 (0.49) PIK3CDHSD17B2CCR9
SCHEMBL2978292 0.77 CCR9 (0.52) HSD17B2CCR9
SCHEMBL2979475 0.77 CCR9 (0.51) PIK3CDHSD17B2CCR9
SCHEMBL2971727 0.76 CCR9 (0.50) HSD17B2CCR9
SCHEMBL2969082 0.75 HSD17B2 (0.55) PIK3CDHSD17B2CCR9
SCHEMBL2980119 0.74 CCR9 (0.58) HSD17B2CCR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835468-B2 N-(2-(hetaryl)aryl)arylsulfonamides and n-(2-(hetaryl)hetaryl) arylsulfonamides CHEMOCENTRYX, INC. (US) 2014-09-16 US disclosed
US-8835468-B2 N-(2-(hetaryl)aryl)arylsulfonamides and n-(2-(hetaryl)hetaryl) arylsulfonamides CHEMOCENTRYX, INC. (US) 2014-09-16 US disclosed
US-20120245138-A1 N-(2-(HETARYL)ARYL)ARYLSULFONAMIDES AND N-(2-(HETARYL)HETARYL ARYLSULFONAMIDES CHEMOCENTRYX, INC. (US) 2012-09-27 US disclosed
US-20120245138-A1 N-(2-(HETARYL)ARYL)ARYLSULFONAMIDES AND N-(2-(HETARYL)HETARYL ARYLSULFONAMIDES CHEMOCENTRYX, INC. (US) 2012-09-27 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-20120245138-A1 N-(2-(HETARYL)ARYL)ARYLSULFONAMIDES AND N-(2-(HETARYL)HETARYL ARYLSULFONAMIDES CCR9, CCR2, CCR10 PIK3CD 4215/4885HSD17B2 1177/4885CCR9 1/4885

“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.