SCHEMBL2479567

SCHEMBL2479567

COc1cc(C(=O)NC(C)(C)C)ccc1S(=O)(=O)Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.53
HPGD P15428 1/20 0.48
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PTPN7 P35236 1/20 0.43
DUSP3 P51452 1/20 0.43
ANO1 Q5XXA6 2/20 0.43
IMPDH2 P12268 1/20 0.43
IMPDH1 P20839 1/20 0.43
LRRK2 Q5S007 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL8003957 0.87 TRPV4 (0.48) TRPV4HPGDMAPTMEN1ALDH1A1
SCHEMBL31649953 0.85 TRPV4 (0.55) TRPV4HPGDMAPTALDH1A1KMT2A
SCHEMBL9093802 0.82 TRPV4 (0.58) TRPV4HPGDMAPTMEN1ALDH1A1
SCHEMBL30545664 0.82 TRPV4 (0.58) TRPV4HPGDMAPTMEN1ALDH1A1
SCHEMBL23224211 0.82 IMPDH2 (0.60) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL7356053 0.80 CA12 (0.61) TRPV4MAPTRAB9ANPSR1LMNA
SCHEMBL26073978 0.80 TRPV4 (0.60) TRPV4MEN1ALDH1A1KMT2ACYP1A2
SCHEMBL6559181 0.80 TRPV4 (0.60) TRPV4MAPTMEN1ALDH1A1KMT2A
SCHEMBL6997419 0.79 TAS1R3 (0.52) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL13701787 0.78 ANO1 (0.53) HPGDMAPTMEN1ALDH1A1KMT2A

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202960-B1 METHOD FOR THE PREPARATION OF 2-METHOXY-4-(N-T-BUTYLAMINO-CARBONYL)-BENZENESULFONYL CHLORIDE SANOFI SYNTHELABO (FR) 2004-03-10 EP claimed
US-6548702-B1 Sulfonating m-hydroxybenzoic acid; methylation, salt formation, chlorination, reaction with t-butylamine SANOFI-SYNTHELABO (FR) 2003-04-15 US claimed
EP-1202960-A1 METHOD FOR THE PREPARATION OF 2-METHOXY-4-(N-T-BUTYLAMINO-CARBONYL)-BENZENESULFONYL CHLORIDE SANOFI-SYNTHELABO (FR) 2002-05-08 EP claimed
WO-2001005754-A1 METHOD FOR THE PREPARATION OF 2-METHOXY-4-(N-T-BUTYLAMINO-CARBONYL)-BENZENESULFONYL CHLORIDE SANOFI-SYNTHELABO (FR) 2001-01-25 WO claimed
EP-2373632-B1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER IP GMBH (DE) 2015-03-04 EP disclosed
US-8859601-B2 Substituted benzyl and phenylsulfonyl triazolones, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 US disclosed
EP-1794123-B1 3-SPIRO-INDOLIN-2-ONE DERIVATIVES AS VASOPRESSIN RECEPTOR LIGAND SANOFI SA (FR) 2011-12-14 EP disclosed
EP-2373632-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2011-10-12 EP disclosed
US-20110245308-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-06 US disclosed
US-7910584-B2 3-spiroindolin-2-one derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2011-03-22 US disclosed
US-7910584-B2 3-spiroindolin-2-one derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2011-03-22 US disclosed
WO-2010063402-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-10 WO disclosed
EP-1202960-A1 METHOD FOR THE PREPARATION OF 2-METHOXY-4-(N-T-BUTYLAMINO-CARBONYL)-BENZENESULFONYL CHLORIDE SANOFI-SYNTHELABO (FR) 2002-05-08 EP disclosed
EP-1196381-A2 PROCESS FOR THE PREPARATION OF N-(1,1-DIMETHYLETHYL)-4-((5'-ETHOXY-4-CIS-(2-(4-MORPHOLINO)ETHOXY)-2'-OXOSPIRO(CYCLOHEXAN-1,3'-(3H)INDOL)-1'(2'H)-YL)-SULFONYL)-3-METHOXYBENZAMIDE AND ITS SALTS SANOFI-SYNTHELABO (FR) 2002-04-17 EP disclosed
WO-2001005791-A2 NEW PROCESS FOR THE PREPARATION OF N-(1,1-DIMETHYLETHYL)-4-[[5'-ETHOXY-4-cis-[2-(4-MORFOLINO)ETHOXY]-2'-OXOSPIRO[CYCLOHEXAN-1,3'-[H]INDOL]-1'(2'H)-yl]-SULFONYL]-3-METHOXYBENZAMIDE AND ITS SALTS SANOFI-SYNTHELABO (FR) 2001-01-25 WO disclosed
WO-2001005754-A1 METHOD FOR THE PREPARATION OF 2-METHOXY-4-(N-T-BUTYLAMINO-CARBONYL)-BENZENESULFONYL CHLORIDE SANOFI-SYNTHELABO (FR) 2001-01-25 WO disclosed
WO-2001005754-A1 METHOD FOR THE PREPARATION OF 2-METHOXY-4-(N-T-BUTYLAMINO-CARBONYL)-BENZENESULFONYL CHLORIDE SANOFI-SYNTHELABO (FR) 2001-01-25 WO disclosed
US-6090818-A CARDIOVASCULAR DISORDERS; ANTISECRETORY AGENTS; OXYTOCIN, VASOPRESSIN ANTAGONIST SANOFI-SYNTHELABO (FR) 2000-07-18 US disclosed
US-6046341-A AN ACTIVE DRUG HAVING AFFINITY FOR VASOPRESSIN AND/OR OXYTOCIN RECEPTORS SANOFI-SYNTHELABO (FR) 2000-04-04 US disclosed
US-5994350-A CARDIOVASCULAR DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS; GASTROINTESTINAL DISORDERS; RESPIRATORY SYSTEM DISORDERS SANOFI-SYNTHELABO (FR) 1999-11-30 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 (1 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-20110245308-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF CHUK, BRSK2, IKBKE TRPV4 1672/4885HPGD 1896/4885MAPT 4565/4885

“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.