SCHEMBL342775

SCHEMBL342775

Cc1ccc(CC(=O)c2cc(Cl)ccc2N)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.46
GCK P35557 2/20 0.43
RECQL P46063 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NR3C1 P04150 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CCR9 P51686 3/20 0.38
PIK3CA P42336 1/20 0.38
FADS1 O60427 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37

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
SCHEMBL343308 0.77 CCR9 (0.55) NOS2GCKRECQLNPC1L3MBTL1
SCHEMBL10750197 0.76 MAPT (0.56) NOS2RECQLNPC1RAB9AL3MBTL1
SCHEMBL342777 0.74 EPHX2 (0.43) NPC1RAB9AL3MBTL1CCR9
SCHEMBL2079618 0.72 NOS2 (0.60) NOS2GCKRECQLFADS1TSHR
SCHEMBL30452033 0.70 TSHR (0.49) TSHRSMN1; SMN2GABRPGABRDGABRA1
SCHEMBL2500952 0.70 TSHR (0.49) TSHRSMN1; SMN2GABRPGABRDGABRA1
SCHEMBL2450666 0.70 ALDH1A1 (0.61) NOS2GCKRECQLFADS1TSHR
SCHEMBL2081805 0.69 NOS2 (0.65) NOS2GCKRECQLL3MBTL1FADS1
SCHEMBL10964252 0.69 NOS2 (0.60) NOS2GCKRECQLNPC1RAB9A
Hydrochloric Acid SCHEMBL17873669 0.69 TSHR (0.47) TSHRSMN1; SMN2GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20170369483-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2017-12-28 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-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
US-20060111351-A1 Aryl sulfonamides CHEMOCENTRYX, INC. 2006-05-25 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 (8 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 NOS2 3908/4885GCK 3574/4885RECQL 4746/4885
US-10364240-B2 Aryl sulfonamides CCR9, CCR1, CCR2 NOS2 3908/4885GCK 3574/4885RECQL 4746/4885
US-20120014997-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 NOS2 3908/4885GCK 3574/4885RECQL 4746/4885
US-20060111351-A1 Aryl sulfonamides CCR9, CCR1, CCR2 NOS2 3908/4885GCK 3574/4885RECQL 4746/4885
US-20170369483-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 NOS2 3908/4885GCK 3574/4885RECQL 4746/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 NOS2 3908/4885GCK 3574/4885RECQL 4746/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 NOS2 3908/4885GCK 3574/4885RECQL 4746/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 NOS2 3908/4885GCK 3574/4885RECQL 4746/4885

“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.