SCHEMBL2616485

SCHEMBL2616485

Cc1cccc(C(=O)c2cc(Cl)ccc2NC(=O)C(C)(C)C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 1/20 0.52
▸ RAB9A P51151 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SORT1 Q99523 1/20 0.46
▸ GRM5 P41594 1/20 0.43
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ GABRA4 P48169 1/20 0.40
▸ GABRE P78334 1/20 0.40
▸ GABRA6 Q16445 1/20 0.40
▸ GABRG1 Q8N1C3 1/20 0.40

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
SCHEMBL25411080 0.82 CCR9 (0.55) CCR9RAB9AMEN1KMT2AGRM5
SCHEMBL12724369 0.79 MAPT (0.56) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL11938271 0.77 CCR9 (0.45) CCR9SORT1GRM5LMNASERPINE1
SCHEMBL14146466 0.77 MEN1 (0.52) RAB9AMEN1KMT2AGABRPGABRD
SCHEMBL343579 0.77 RECQL (0.51) CCR9RAB9ASORT1GRM5L3MBTL1
SCHEMBL343059 0.76 CCR9 (0.68) CCR9LMNA
SCHEMBL10252261 0.76 CCR9 (0.59) CCR9RAB9AMEN1KMT2AMAPT
SCHEMBL10252269 0.76 CCR9 (0.61) CCR9RAB9AMEN1KMT2AMAPT
SCHEMBL10248666 0.76 CCR9 (0.50) CCR9RAB9AMEN1KMT2AKDM4E
SCHEMBL343324 0.76 CCR9 (0.56) CCR9RAB9AMEN1KMT2AGABRP

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-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-20120101097-A9 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-04-26 — — US disclosed
US-20120014997-A1 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-01-19 — — US disclosed
US-20110201610-A1 ARYL SULFONAMIDES UNGASHE SOLOMON 2011-08-18 — — US disclosed
US-7932252-B2 CCR9 chemokine receptor modulators; treating inflammatory and immune diseases; inhibit the binding of chemokines, such as TECK (thymus-expressed chemokine), to the CCR9 receptor; 1-arylsulfonamido-2-aryl(alkyl)benzene compounds CHEMOCENTRYX, INC. (US) 2011-04-26 — — US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 — — 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-20080161345-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. 2008-07-03 — — 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-20120014997-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885RAB9A 1370/4885MEN1 4867/4885
US-20110201610-A1 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 CCR9 13/4885RAB9A 2714/4885MEN1 4870/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885RAB9A 1370/4885MEN1 4867/4885
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 CCR9 2/4885RAB9A 2231/4885MEN1 4867/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 CCR9 1/4885RAB9A 1370/4885MEN1 4867/4885
US-20080161345-A1 Aryl Sulfonamides CCR2, CCL2, CX3CR1 CCR9 13/4885RAB9A 2714/4885MEN1 4870/4885
US-20120101097-A9 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 CCR9 13/4885RAB9A 2714/4885MEN1 4870/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885RAB9A 1370/4885MEN1 4867/4885

“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.

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