SCHEMBL2761209

SCHEMBL2761209

O=C(O)Oc1cc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.56
CA2 P00918 2/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA4 P22748 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49

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
SCHEMBL29287403 0.85 BCL2L1 (0.52) BCL2L1CA2CA12CA1CA4
SCHEMBL4851399 0.83 BCL2L1 (0.50) BCL2L1CA2CA12CA1CA4
SCHEMBL526115 0.83 BCL2L1 (0.50) BCL2L1CA2CA12CA1CA4
SCHEMBL9263208 0.83 SLC9A1 (0.50) BCL2L1CA2CA12CA1CA4
SCHEMBL5198179 0.80 HDAC3 (0.49) BCL2L1CA2CA12CA1CA4
SCHEMBL5046977 0.79 GPR35 (0.33)
SCHEMBL10951516 0.79 CYP2A6 (0.47) BCL2L1CA2CA12CA1CA4
SCHEMBL10929219 0.79 CYP2A6 (0.47) BCL2L1CA2CA12CA1CA4
SCHEMBL31544522 0.78 BCL2L1 (0.45) BCL2L1CA2CA12CA1CA4
SCHEMBL5234254 0.77 KMT2A (0.39) HDAC6DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863766-B1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-05-20 EP claimed
EP-1789416-B1 AMIDE DERIVATIVES OF 3-PHENYL DIHYDROPYRIMIDO[4,5-D]PYRIMIDINONES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-03-11 EP claimed
WO-1997020837-A1 PROCESS FOR THE PREPARATION OF BENZOTHIOPHENE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1997-06-12 WO claimed
EP-0259168-B1 NEW WATER-SOLUBLE SALTS OF THIONAPTHENE-2-CARBOXYLIC ACID Macrochem Corporation (US) 1991-12-11 EP claimed
WO-2010146144-A2 USE OF CARBOLIC ACID HYDRIDE FOR DEBONDING POLYURETHANE ADHESIVES SIKA TECHNOLOGY AG (CH) 2010-12-23 WO disclosed
EP-2264114-A2 Use of carbon acid hydracide to unstick polyurethane adhesives Sika Technology AG (CH) 2010-12-22 EP disclosed
EP-1761524-B1 PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS SANOL ARZNEI SCHWARZ GMBH (DE) 2007-11-21 EP disclosed
EP-1761524-A1 PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS SCHWARZ PHARMA AG (DE) 2007-03-14 EP disclosed
EP-1461335-B1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
EP-1519726-B1 UTILIZATION OF HETEROARENE CARBOXAMIDE AS DOPAMINE-D3 LIGANDS FOR THE TREATMENT OF CNS DISEASES SANOL ARZNEI SCHWARZ GMBH (DE) 2007-02-21 EP disclosed
EP-1749529-A1 Utilisation of heteroarene carboxamide as dopamine-D3 ligands for the treatment of CNS diseases SCHWARZ PHARMA AG (DE) 2007-02-07 EP disclosed
WO-2006072430-A1 PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS SCHWARZ PHARMA AG (DE) 2006-07-13 WO disclosed
US-5594022-A CARBAMATES WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed
EP-0512349-B1 Benzothiophene-2-carboxamide-S,S-dioxides BAYER AG (DE) 1996-02-14 EP disclosed
WO-1995034548-A3 PROCESS FOR PREPARING BENZOTHIOPHENE DERIVATIVES BAYER AG (DE) 1996-02-08 WO disclosed
WO-1995034548-A2 PROCESS FOR PREPARING BENZOTHIOPHENE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1995-12-21 WO disclosed
WO-1995034548-A2 PROCESS FOR PREPARING BENZOTHIOPHENE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1995-12-21 WO disclosed
EP-0512349-A1 Benzothiophene-2-carboxamide-S,S-dioxides BAYER AG (DE) 1992-11-11 EP disclosed
EP-0259168-B1 NEW WATER-SOLUBLE SALTS OF THIONAPTHENE-2-CARBOXYLIC ACID Macrochem Corporation (US) 1991-12-11 EP disclosed
EP-0259168-A1 New water-soluble salts of thionapthene-2-carboxylic acid Macrochem Corporation (US) 1988-03-09 EP disclosed