SCHEMBL13063893

SCHEMBL13063893

Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(I)c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 8/20 0.71
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
UQCRB P14927 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
PSD A5PKW4 1/20 0.51
CCR9 P51686 1/20 0.48

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
SCHEMBL28597367 0.88 KEAP1 (0.60) HSD17B2ALDH1A1LMNACA1CA2
SCHEMBL15248886 0.85 HSD17B2 (0.74) HSD17B2ALDH1A1KDM4ELMNAUQCRB
SCHEMBL12096937 0.85 HSD17B2 (0.52) HSD17B2ALDH1A1KDM4ELMNA
SCHEMBL2968297 0.84 HSD17B2 (0.67) HSD17B2CCR9
SCHEMBL1631204 0.83 HSD17B2 (0.71) HSD17B2ALDH1A1KDM4ELMNAUQCRB
SCHEMBL17849556 0.83 HSD17B2 (0.71) HSD17B2ALDH1A1KDM4ELMNAUQCRB
SCHEMBL13852837 0.81 HSD17B2 (0.68) HSD17B2ALDH1A1KDM4ELMNAUQCRB
SCHEMBL17849570 0.80 HSD17B2 (0.66) HSD17B2ALDH1A1KDM4ELMNAUQCRB
SCHEMBL12096791 0.77 HSD17B2 (0.46) HSD17B2LMNAUQCRBCA1CA2
SCHEMBL4651332 0.77 HSD17B2 (0.66) HSD17B2ALDH1A1KDM4ELMNAUQCRB

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
US-20100331302-A1 N-(2-(HETARYL)ARYL) ARYLSULFONAMIDES AND N-(2-(HETARYL)HETARYL ARYLSULFONAMIDES CHEMOCENTRYX, INC. (US) 2010-12-30 US disclosed
US-7776877-B2 N-(4-Chloro-2-[1,2,3]triazolo[4,5-b]pyridin-1-yl-phenyl)-4-(1-hydroxy-1-methyl-ethyl)-benzene-sulfonamide sodium salt, used as chemokine receptors antagonists, useful for treating inflammation CHEMOCENTRYX, INC. (US) 2010-08-17 US disclosed
US-20090005410-A1 N-(4-Chloro-2-[1,2,3]triazolo[4,5-b]pyridin-1-yl-phenyl)-4-(1-hydroxy-1-methyl-ethyl)-benzene-sulfonamide sodium salt, used as chemokine receptors antagonists, useful for treating inflammation CHEMOCENTRYX, INC. (US) 2009-01-01 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 (2 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-20100331302-A1 N-(2-(HETARYL)ARYL) ARYLSULFONAMIDES AND N-(2-(HETARYL)HETARYL ARYLSULFONAMIDES CCR9, CCR2, CCR10 HSD17B2 1177/4885ALDH1A1 2087/4885KDM4E 4231/4885
US-20090005410-A1 N-(4-Chloro-2-[1,2,3]triazolo[4,5-b]pyridin-1-yl-phenyl)-4-(1-hydroxy-1-methyl-ethyl)-benzene-sulfonamide sodium salt, used as chemokine receptors antagonists, useful for treating inflammation CCR9, CCR1, CCR2 HSD17B2 3385/4885ALDH1A1 2024/4885KDM4E 3353/4885

“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.