SCHEMBL10248780

SCHEMBL10248780

Cn1nnc(-c2cccc(S(=O)(=O)Cl)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.53
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
PPARA Q07869 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
TSHR P16473 1/20 0.35
DRD2 P14416 1/20 0.35
AKR1C3 P42330 1/20 0.34

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
SCHEMBL22635568 0.85 ACLY (0.53) ACLY
SCHEMBL22635473 0.83 ACLY (0.59) ACLYMAPT
SCHEMBL8205448 0.76 XPO1 (0.48) ACLYTRPM8NPC1RAB9ASMN1; SMN2
SCHEMBL8212790 0.74 ACLY (0.53) ACLYTRPM8NPC1RAB9ASMN1; SMN2
SCHEMBL513853 0.74 LMNA (0.54) ACLYALDH1A1TRPM8NPC1RAB9A
SCHEMBL22000124 0.73 ACLY (0.53) ACLYALDH1A1HSD17B10TDP1RAB9A
SCHEMBL1823889 0.73 TRPM8 (0.42) ACLYALDH1A1TRPM8NPC1RAB9A
SCHEMBL926466 0.73 LMNA (0.45) ACLYALDH1A1TRPM8NPC1RAB9A
SCHEMBL1092403 0.73 AHR (0.45) ACLYALDH1A1TRPM8NPC1RAB9A
SCHEMBL1628780 0.73 HSD17B2 (0.58) ACLYTRPM8NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. 2020-05-14 US disclosed
US-10364240-B2 Aryl sulfonamides ChemoCentryx. Inc. (US) 2019-07-30 US disclosed
US-9890148-B2 Aryl sulfonamides CHEMOCENTRYX, INC. (US) 2018-02-13 US disclosed
US-20150080351-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. 2015-03-19 US disclosed
US-20150080351-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. 2015-03-19 US disclosed
US-20130267492-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2013-10-10 US disclosed
US-20130267492-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2013-10-10 US disclosed
US-20120014997-A1 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-01-19 US disclosed
US-20090163498-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-06-25 US disclosed
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 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 (6 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-10364240-B2 Aryl sulfonamides CCR9, CCR1, CCR2 ACLY 4188/4885ALDH1A1 1655/4885HSD17B10 2850/4885
US-20120014997-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 ACLY 4188/4885ALDH1A1 1655/4885HSD17B10 2850/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 ACLY 4188/4885ALDH1A1 1655/4885HSD17B10 2850/4885
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG ACLY 1/4885ALDH1A1 1455/4885HSD17B10 392/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 ACLY 4188/4885ALDH1A1 1655/4885HSD17B10 2850/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 ACLY 4188/4885ALDH1A1 1655/4885HSD17B10 2850/4885

“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.