SCHEMBL344823

SCHEMBL344823

c1ccc(CCc2ncco2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.46
FAAH O00519 1/20 0.46
NCEH1 Q6PIU2 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
HSD17B10 Q99714 2/20 0.38
NR3C2 P08235 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 2/20 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
Formamide SCHEMBL28728347 0.90 CES1 (0.43) CES1FAAHNCEH1NPC1RAB9A
SCHEMBL28351262 0.89 CES1 (0.51) CES1FAAHNCEH1NPC1RAB9A
SCHEMBL29086344 0.82 CYP1B1 (0.32) CES1FAAHNCEH1
SCHEMBL527670 0.82 CALM1 (0.44) CES1FAAHNCEH1NPC1RAB9A
SCHEMBL30443790 0.78 TAAR1 (0.47) MAOBNR3C2MAPT
Biphenyl SCHEMBL28708802 0.77 RAB9A (0.47) CES1FAAHNCEH1NPC1RAB9A
SCHEMBL6804128 0.77 CES1 (0.36) CES1FAAHNCEH1KCNH2
SCHEMBL6635855 0.77 EPHX1 (0.39) CES1FAAHNCEH1
SCHEMBL8567691 0.76 MAOB (0.39) CES1FAAHNCEH1L3MBTL1KDM4E
SCHEMBL343820 0.75 CES1 (0.35) CES1FAAHNCEH1CYP1A2KCNH2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019148005-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. (US) 2019-08-01 WO disclosed
US-10364240-B2 Aryl sulfonamides ChemoCentryx. Inc. (US) 2019-07-30 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-9890148-B2 Aryl sulfonamides CHEMOCENTRYX, INC. (US) 2018-02-13 US disclosed
US-20170369483-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2017-12-28 US disclosed
CN-104470930-A Heterocyclic compounds and methods for their use SPINIFEX PHARM PTY LTD 2015-03-25 CN 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-20150080351-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. 2015-03-19 US disclosed
US-20090163498-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-06-25 US disclosed
US-20090163498-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-06-25 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
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
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
US-20060111351-A1 Aryl sulfonamides CHEMOCENTRYX, INC. 2006-05-25 US disclosed
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 US disclosed
WO-2005112925-A1 ARYL SULFONAMIDES CHEMOCENTRYX (US) 2005-12-01 WO disclosed
US-20050137193-A1 Aryl sulfonamides CHEMOCENTREYX 2005-06-23 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 (7 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-20050137193-A1 Aryl sulfonamides CCR9, CCR1, CCR2 CES1 347/4885FAAH 434/4885NCEH1 695/4885
US-10364240-B2 Aryl sulfonamides CCR9, CCR1, CCR2 CES1 347/4885FAAH 434/4885NCEH1 695/4885
US-20060111351-A1 Aryl sulfonamides CCR9, CCR1, CCR2 CES1 347/4885FAAH 434/4885NCEH1 695/4885
US-20170369483-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CES1 347/4885FAAH 434/4885NCEH1 695/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CES1 347/4885FAAH 434/4885NCEH1 695/4885
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT CES1 94/4885FAAH 2286/4885NCEH1 895/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 CES1 347/4885FAAH 434/4885NCEH1 695/4885

“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.