SCHEMBL8544664

SCHEMBL8544664

CCS(=O)(=O)c1ccc(OC)c(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
APEX1 P27695 1/20 0.53
S1PR3 Q99500 1/20 0.51
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
HTR2B P41595 2/20 0.51
KCNH2 Q12809 2/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
SLC6A4 P31645 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
TSHR P16473 2/20 0.49
GAA P10253 2/20 0.49
HSD11B1 P28845 1/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 2/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL31135550 0.86 MAPK1 (0.53) MAPK1APEX1S1PR3TSHRGAA
SCHEMBL26105419 0.86 MAPK1 (0.53) MAPK1APEX1S1PR3TSHRGAA
SCHEMBL27631394 0.86 GAA (0.55) MAPK1DRD2DRD3HTR2BKCNH2
SCHEMBL2348770 0.86 GAA (0.51) MAPK1DRD2DRD3HTR2BKCNH2
SCHEMBL29017033 0.86 S1PR3 (0.57) MAPK1S1PR3TSHRALDH1A1KDM4E
SCHEMBL10723820 0.86 DRD2 (0.50) MAPK1DRD2DRD3HTR2BKCNH2
SCHEMBL29622774 0.86 GAA (0.51) MAPK1DRD2DRD3HTR2BKCNH2
SCHEMBL10744279 0.86 GAA (0.51) MAPK1DRD2DRD3HTR2BKCNH2
SCHEMBL25234667 0.84 CA2 (0.54) MAPK1APEX1S1PR3TSHRGAA
SCHEMBL31038307 0.84 CA2 (0.54) MAPK1APEX1S1PR3TSHRGAA

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-3975434-A Processes of producing 2,5-disubstituted benzamides SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1976-08-17 US claimed
CN-104744332-A Production method of sultopride hydrochloride JIANG XUEJING 2015-07-01 CN disclosed
CN-1706825-A New synthesis process of sultopride hydrochloride JIANGSU TIANSHILI DIYI PHARMAC (CN) 2005-12-14 CN disclosed
EP-0654023-B1 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-09-16 EP disclosed
EP-0705259-B1 PHENYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-02-25 EP disclosed
US-5523299-A ADMINISTERING IN TREATMENT OF PSYCHOTIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 1996-06-04 US disclosed
EP-0705259-A1 PHENYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-10 EP disclosed
EP-0654023-A1 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-05-24 EP disclosed
WO-1995000508-A1 PHENYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-01-05 WO disclosed
WO-1994003426-A1 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-02-17 WO disclosed
US-4673686-A CNS MODIFIERS, ANTI-APOMORPHINE ANTIENETIC ACITIVTY/ SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLE DE L'ILE DE FRANCE (FR) 1987-06-16 US disclosed
US-4197243-A ANTIPSYCHOTICS, STRONG CNS DEPRESSANTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1980-04-08 US disclosed
US-4097487-A CNS DEPRESSANTS, ANTIPSYCHOTICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1978-06-27 US disclosed
US-4029673-A N-(1-benzyl pyrrolidinyl 2-alkyl) substituted benzamides and derivatives thereof SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1977-06-14 US disclosed
US-3975434-A Processes of producing 2,5-disubstituted benzamides SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1976-08-17 US disclosed