SCHEMBL9908753

SCHEMBL9908753

O=S(=O)(Nc1ccccc1-n1cccc1)c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.64
MCOLN3 Q8TDD5 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TSHR P16473 1/20 0.59
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
KEAP1 Q14145 1/20 0.58
NFE2L2 Q16236 1/20 0.58
NAMPT P43490 1/20 0.48
STAT3 P40763 1/20 0.48
CHEK1 O14757 1/20 0.48
CDK8 P49336 1/20 0.48
NEK2 P51955 1/20 0.48
LIMK1 P53667 1/20 0.48
GLO1 Q04760 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL5822509 0.87 PKM (0.57) PKMMCOLN3L3MBTL1MEN1KMT2A
SCHEMBL14458258 0.85 NAMPT (0.51) PKMMCOLN3L3MBTL1MEN1KMT2A
SCHEMBL7589375 0.82 MEN1 (0.77) PKMMCOLN3L3MBTL1MEN1KMT2A
SCHEMBL23057115 0.81 MCOLN2 (0.49) PKMMCOLN3L3MBTL1MEN1KMT2A
SCHEMBL14601686 0.81 FFAR4 (0.49) PKMMCOLN3L3MBTL1MEN1KMT2A
SCHEMBL7854392 0.77 TSHR (0.70) PKMMCOLN3L3MBTL1MEN1KMT2A
SCHEMBL30737629 0.74 MEN1 (0.66) PKMMCOLN3L3MBTL1MEN1KMT2A
SCHEMBL6561655 0.74 MEN1 (0.66) PKMMCOLN3L3MBTL1MEN1KMT2A
SCHEMBL13875339 0.74 ALDH1A1 (0.71) MEN1KMT2ATSHRALDH1A1KEAP1
SCHEMBL7574096 0.74 MEN1 (0.71) MEN1KMT2ATSHRMAPTKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409909-B2 N-(2-(hetaryl)aryl)arylsulfonamides and N-(2-(hetaryl)hetaryl)arylsulfonamides CHEMOCENTRYX, INC. (US) 2016-08-09 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-8198309-B2 N-(2-(hetaryl)aryl) arylsulfonamides and N-(2-(hetaryl)hetaryl arylsulfonamides CHEMOCENTRYX, INC. (US) 2012-06-12 US disclosed
US-8198309-B2 N-(2-(hetaryl)aryl) arylsulfonamides and N-(2-(hetaryl)hetaryl arylsulfonamides CHEMOCENTRYX, INC. (US) 2012-06-12 US disclosed
US-20100331302-A1 N-(2-(HETARYL)ARYL) ARYLSULFONAMIDES AND N-(2-(HETARYL)HETARYL ARYLSULFONAMIDES CHEMOCENTRYX, INC. (US) 2010-12-30 US disclosed
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-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
WO-2009038847-A1 N-(2-(HETARYL)ARYL)ARYLSULFONAMIDES AND N-(2-(HETARYL)HETARYL)ARYLSULFONAMIDES CHEMOCENTRYX, INC. (US) 2009-03-26 WO 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
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 (3 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 PKM 4804/4885MCOLN3 2366/4885L3MBTL1 3262/4885
US-20120245138-A1 N-(2-(HETARYL)ARYL)ARYLSULFONAMIDES AND N-(2-(HETARYL)HETARYL ARYLSULFONAMIDES CCR9, CCR2, CCR10 PKM 4804/4885MCOLN3 2366/4885L3MBTL1 3262/4885
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 PKM 4362/4885MCOLN3 2661/4885L3MBTL1 3008/4885

“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.