SCHEMBL4068758

SCHEMBL4068758

O=[N+]([O-])c1ccccc1CS(=O)(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
ALDH1A1 P00352 4/20 0.55
TSHR P16473 1/20 0.53
KMT2A Q03164 8/20 0.53
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.49
MEN1 O00255 6/20 0.48
RAB9A P51151 2/20 0.48
ATM Q13315 1/20 0.47
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL5738819 0.89 KMT2A (0.62) HTTALDH1A1TSHRKMT2AMEN1
SCHEMBL28613032 0.82 ALDH1A1 (0.60) HTTALDH1A1TSHRKMT2AHPGD
SCHEMBL3531624 0.82 HTT (0.60) HTTALDH1A1KMT2APOLBHPGD
SCHEMBL3888217 0.82 HTT (0.51) HTTALDH1A1TSHRKMT2APOLB
SCHEMBL14618673 0.82 HTT (0.51) HTTALDH1A1TSHRKMT2APOLB
SCHEMBL3535128 0.82 HTT (0.60) HTTALDH1A1KMT2APOLBHPGD
SCHEMBL14714286 0.81 ALDH1A1 (0.44) HTTALDH1A1TSHRKMT2AMEN1
SCHEMBL9826058 0.80 ALDH1A1 (0.58) HTTALDH1A1TSHRKMT2AHPGD
SCHEMBL31628174 0.80 ALDH1A1 (0.58) HTTALDH1A1TSHRKMT2AHPGD
SCHEMBL27716526 0.79 HTT (0.58) HTTALDH1A1KMT2APOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787535-B2 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON'S DISEASE, HUNTINGTON'S DISEASE; PSYCOLOGICAL DISORDERS SYNTEX (U.S.A.) LLC 2004-09-07 US claimed
US-20030073700-A1 New indole derivatives with 5HT6 receptor affinity SYNTEX (U.S.A.) LLC, NAME CHANGE TO ROCHE PALO ALTO LLC 2003-04-17 US claimed
US-8252841-B2 Methods of inhibiting bacterial virulence and compounds relating thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-08-28 US disclosed
US-7589108-B2 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-15 US disclosed
US-7589108-B2 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-15 US disclosed
US-20090012308-A1 PROCESS FOR THE MANUFACTURE OF BENZYLSULFONYLARENES WYETH (US) 2009-01-08 US disclosed
US-20060030593-A1 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-02-09 US disclosed
US-6995176-B2 1-heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-02-07 US disclosed
US-20050171118-A1 New indole derivatives with 5-HT6 receptor affinity BEARD COLIN C (US) 2005-08-04 US disclosed
EP-1554244-A1 1-HETEROCYCLYLALKYL-3-SULFONYLINDOLE OR -INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2005-07-20 EP disclosed
US-20040248902-A1 New indole derivatives with 5-HT6 receptor affinity BEARD COLIN CHARLES (US) 2004-12-09 US disclosed
US-6787535-B2 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON'S DISEASE, HUNTINGTON'S DISEASE; PSYCOLOGICAL DISORDERS SYNTEX (U.S.A.) LLC 2004-09-07 US disclosed
US-20040024023-A1 1-Heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-02-05 US disclosed
WO-2004009548-A1 1-HETEROCYCLYLALKYL-3-SULFONYLINDOLE OR -INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2004-01-29 WO disclosed
US-20030073700-A1 New indole derivatives with 5HT6 receptor affinity SYNTEX (U.S.A.) LLC, NAME CHANGE TO ROCHE PALO ALTO LLC 2003-04-17 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 (6 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-20060030593-A1 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3A, HTR5A HTT 364/4885ALDH1A1 819/4885TSHR 229/4885
US-20040248902-A1 New indole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR7 HTT 1358/4885ALDH1A1 1833/4885TSHR 182/4885
US-20050171118-A1 New indole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR7 HTT 1087/4885ALDH1A1 2354/4885TSHR 137/4885
US-20090012308-A1 PROCESS FOR THE MANUFACTURE OF BENZYLSULFONYLARENES HTR6, HTR2B, HTR3B HTT 285/4885ALDH1A1 721/4885TSHR 121/4885
US-20030073700-A1 New indole derivatives with 5HT6 receptor affinity HTR6, HTR5A, HTR7 HTT 1221/4885ALDH1A1 1394/4885TSHR 176/4885
US-20040024023-A1 1-Heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3A, HTR1A HTT 389/4885ALDH1A1 894/4885TSHR 205/4885

“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.