SCHEMBL8840163

SCHEMBL8840163

O=C(O)COc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.79
TBXAS1 P24557 1/20 0.79
SGMS1 Q86VZ5 8/20 0.72
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
HTT P42858 1/20 0.57
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 1/20 0.55
PRMT1 Q99873 2/20 0.55
AKR1C3 P42330 1/20 0.55

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
SCHEMBL9130507 0.89 SGMS1 (0.68) TBXA2RTBXAS1SGMS1MEN1KMT2A
Sulotroban SCHEMBL34187 0.88 TBXA2R (1.00) TBXA2RTBXAS1SGMS1HTTALDH1A1
SCHEMBL11348800 0.88 TBXA2R (0.79) TBXA2RTBXAS1SGMS1HTTALDH1A1
SCHEMBL11342321 0.88 TBXA2R (0.79) TBXA2RTBXAS1SGMS1HTTALDH1A1
SCHEMBL11371899 0.88 TBXA2R (0.79) TBXA2RTBXAS1SGMS1MEN1KMT2A
SCHEMBL9661154 0.87 SGMS1 (0.62) TBXA2RTBXAS1SGMS1MEN1KMT2A
SCHEMBL9127503 0.86 TBXA2R (0.69) TBXA2RTBXAS1SGMS1PRMT1AKR1C3
SCHEMBL11343097 0.85 TBXA2R (0.76) TBXA2RTBXAS1SGMS1HTTALDH1A1
SCHEMBL11339358 0.85 TBXA2R (0.60) TBXA2RTBXAS1SGMS1HTTALDH1A1
SCHEMBL9127591 0.85 SGMS1 (0.76) TBXA2RTBXAS1SGMS1MEN1KMT2A

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-5446065-A Thromboxane antagonists BOEHRINGER MANNHEIM GMBH (DE) 1995-08-29 US claimed
EP-0564499-B1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1995-04-12 EP claimed
US-5173500-A Inhibiting thrombocyte aggregation BOEHRINGER MANNHEIM GMBH (DE) 1992-12-22 US claimed
US-5037990-A Antagonist, antagonism, bronchodilator; antiischemic agents, treatment of cardiovascular disorder, kidney dialysis; and antiulcer agent BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US claimed
US-5650428-A THROMBOXANE A2 ANTAGONISM NKK CORPORATION (JP) 1997-07-22 US disclosed
US-5446065-A Thromboxane antagonists BOEHRINGER MANNHEIM GMBH (DE) 1995-08-29 US disclosed
EP-0564499-B1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1995-04-12 EP disclosed
EP-0356989-B1 Sulfon amides with a tetrazolyl rest, process for their preparation an therapeutic agents BOEHRINGER MANNHEIM GMBH (DE) 1994-04-06 EP disclosed
EP-0564499-A1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS. BOEHRINGER MANNHEIM GMBH (DE) 1993-10-13 EP disclosed
US-5173500-A Inhibiting thrombocyte aggregation BOEHRINGER MANNHEIM GMBH (DE) 1992-12-22 US disclosed
WO-1992011234-A1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1992-07-09 WO disclosed
US-5037990-A Antagonist, antagonism, bronchodilator; antiischemic agents, treatment of cardiovascular disorder, kidney dialysis; and antiulcer agent BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed
CN-1045780-A The preparation of new sulfonamide derivatives BOEHRINGER MANNHEIM GMBH (DE) 1990-10-03 CN disclosed
EP-0356989-A2 Sulfon amides with a tetrazolyl rest, process for their preparation an therapeutic agents Roche Diagnostics GmbH (DE) 1990-03-07 EP disclosed
EP-0004011-B1 PHENOXYALKYLCARBOXYLIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Roche Diagnostics GmbH (DE) 1981-04-01 EP disclosed
US-4258058-A Phenoxyalkylcarboxylic acid compounds and thrombocyte-aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1981-03-24 US disclosed
EP-0004011-A1 Phenoxyalkylcarboxylic-acid derivatives, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1979-09-19 EP disclosed