Sugi Predict

Sugi Predict / Compounds / SCHEMBL2616489

SCHEMBL2616489

SCHEMBL2616489

C[Si](C)(C)c1cnc(C(O)c2cc(Cl)ccc2[N+](=O)[O-])s1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ USP7 Q93009 3/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PDE7A Q13946 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ USP47 Q96K76 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ PADI4 Q9UM07 1/20 0.33

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
SCHEMBL2616488 0.77 KMT2A (0.51) MAPK1TSHRKMT2APOLBLMNA
SCHEMBL343287 0.73 TSHR (0.43) MAPK1TSHRKMT2APOLBLMNA
SCHEMBL2616495 0.72 TSHR (0.42) MAPK1TSHRUSP7KMT2APOLB
SCHEMBL5583389 0.70 MAPK1 (0.49) MAPK1TSHRKMT2APOLBLMNA
SCHEMBL15013647 0.69 TSHR (0.42) MAPK1TSHRKMT2APOLBLMNA
SCHEMBL27382568 0.69 TSHR (0.42) MAPK1TSHRKMT2APOLBLMNA
SCHEMBL3253882 0.69 TSHR (0.51) MAPK1TSHRUSP7POLBLMNA
SCHEMBL13875029 0.68 MAPK1 (0.58) MAPK1TSHRKMT2APOLBLMNA
SCHEMBL12056084 0.68 MAPK1 (0.50) MAPK1TSHRUSP7KMT2APOLB
SCHEMBL2616480 0.68 MAPK1 (0.43) MAPK1TSHRKMT2APOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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-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-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
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 MAPK1 2440/4885TSHR 1005/4885USP7 1854/4885
US-20110201610-A1 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 MAPK1 1353/4885TSHR 841/4885USP7 3058/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 MAPK1 2440/4885TSHR 1005/4885USP7 1854/4885
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 MAPK1 1580/4885TSHR 1538/4885USP7 3674/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 MAPK1 2440/4885TSHR 1005/4885USP7 1854/4885
US-20080161345-A1 Aryl Sulfonamides CCR2, CCL2, CX3CR1 MAPK1 1353/4885TSHR 841/4885USP7 3058/4885
US-20120101097-A9 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 MAPK1 1353/4885TSHR 841/4885USP7 3058/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 MAPK1 2440/4885TSHR 1005/4885USP7 1854/4885

“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.