SCHEMBL6559181

SCHEMBL6559181

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.60
TSHR P16473 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
TPMT P51580 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 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
SCHEMBL26073978 0.87 TRPV4 (0.60) TRPV4TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL7356053 0.87 CA12 (0.61) TRPV4TSHRCA12CA1CA2
SCHEMBL9093802 0.85 TRPV4 (0.58) TRPV4TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL30545664 0.85 TRPV4 (0.58) TRPV4TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL31649953 0.83 TRPV4 (0.55) TRPV4TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL2479567 0.80 TRPV4 (0.53) TRPV4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14930253 0.80 MEN1 (0.44) TRPV4TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL29521706 0.78 TSHR (0.70) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL184025 0.78 TSHR (0.70) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8661729 0.78 TRPV4 (0.50) TRPV4TSHRKMT2AMEN1ALDH1A1

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
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
CN-1164571-C Method for preparing 2-methoxy-4- (N-tert-butylaminocarbonyl) benzenesulfonyl chloride ��ŵ�Ѻϳ�ʵ���� 2004-09-01 CN disclosed
CN-1164571-C Method for preparing 2-methoxy-4- (N-tert-butylaminocarbonyl) benzenesulfonyl chloride ��ŵ�Ѻϳ�ʵ���� 2004-09-01 CN disclosed
EP-1202960-B1 METHOD FOR THE PREPARATION OF 2-METHOXY-4-(N-T-BUTYLAMINO-CARBONYL)-BENZENESULFONYL CHLORIDE SANOFI SYNTHELABO (FR) 2004-03-10 EP disclosed
EP-1202960-B1 METHOD FOR THE PREPARATION OF 2-METHOXY-4-(N-T-BUTYLAMINO-CARBONYL)-BENZENESULFONYL CHLORIDE SANOFI SYNTHELABO (FR) 2004-03-10 EP disclosed
US-6548702-B1 Sulfonating m-hydroxybenzoic acid; methylation, salt formation, chlorination, reaction with t-butylamine SANOFI-SYNTHELABO (FR) 2003-04-15 US disclosed
US-6548702-B1 Sulfonating m-hydroxybenzoic acid; methylation, salt formation, chlorination, reaction with t-butylamine SANOFI-SYNTHELABO (FR) 2003-04-15 US disclosed
US-20020128208-A1 Nonpeptide agonists and antagonists of vasopressin receptors EMORY UNIVERSITY 2002-09-12 US disclosed
CN-1360569-A Method for preparation of Z-methoxy-4-(N-t-butylamino-carbonyl)benzenesulfonyl chloride SANOFI SYNTHELABO (FR) 2002-07-24 CN disclosed
CN-1360569-A Method for preparation of Z-methoxy-4-(N-t-butylamino-carbonyl)benzenesulfonyl chloride SANOFI SYNTHELABO (FR) 2002-07-24 CN disclosed
WO-2002047679-A2 NONPEPTIDE AGONISTS AND ANTAGONISTS OF VASOPRESSIN RECEPTORS EMORY UNIVERSITY (US) 2002-06-20 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-1202960-A1 METHOD FOR THE PREPARATION OF 2-METHOXY-4-(N-T-BUTYLAMINO-CARBONYL)-BENZENESULFONYL CHLORIDE SANOFI-SYNTHELABO (FR) 2002-05-08 EP 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

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-20020128208-A1 Nonpeptide agonists and antagonists of vasopressin receptors AVPR1A, AVPR2, AVPR1B TRPV4 110/4885TSHR 95/4885CYP1A2 2326/4885

“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.