Sugi Predict

Sugi Predict / Compounds / SCHEMBL2616487

SCHEMBL2616487

SCHEMBL2616487

O=C(c1cncs1)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ POLB P06746 1/20 0.46
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ AGTR1 P30556 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ KCNMA1 Q12791 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PDE7A Q13946 1/20 0.39

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
SCHEMBL14517067 0.81 ALDH1A1 (0.47) KMT2AALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL343663 0.81 RECQL (0.51) KMT2AALDH1A1SMN1; SMN2MEN1KDM4E
SCHEMBL8312519 0.79 KMT2A (0.54) KMT2AALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL10396627 0.74 ALDH1A1 (0.58) KMT2AALDH1A1POLBTSHRMAPK1
SCHEMBL9686336 0.74 ALDH1A1 (0.49) KMT2AALDH1A1POLBTSHRMAPK1
SCHEMBL2616490 0.74 KMT2A (0.65) KMT2AALDH1A1POLBTSHRMAPK1
SCHEMBL344130 0.73 ALDH1A1 (0.48) KMT2AALDH1A1POLBTSHRMAPK1
SCHEMBL5922135 0.73 CNR1 (0.52) KMT2AALDH1A1POLBTSHRMAPK1
SCHEMBL343984 0.72 ALDH1A1 (0.50) KMT2AALDH1A1POLBTSHRMAPK1
SCHEMBL79163 0.72 DTYMK (0.62) KMT2AALDH1A1POLBTSHRMAPK1

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 18 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-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-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-20110201610-A1 ARYL SULFONAMIDES UNGASHE SOLOMON 2011-08-18 — — 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-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
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 — — WO 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-10364240-B2 Aryl sulfonamides CCR9, CCR1, CCR2 KMT2A 2760/4885ALDH1A1 1655/4885POLB 4636/4885
US-20120014997-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 KMT2A 2760/4885ALDH1A1 1655/4885POLB 4636/4885
US-20110201610-A1 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 KMT2A 2610/4885ALDH1A1 1258/4885POLB 4663/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 KMT2A 2760/4885ALDH1A1 1655/4885POLB 4636/4885
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 KMT2A 2576/4885ALDH1A1 1572/4885POLB 4104/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 KMT2A 2760/4885ALDH1A1 1655/4885POLB 4636/4885
US-20120101097-A9 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 KMT2A 2610/4885ALDH1A1 1258/4885POLB 4663/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 KMT2A 2760/4885ALDH1A1 1655/4885POLB 4636/4885

“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.