SCHEMBL7257652

SCHEMBL7257652

COc1ccc(CS(N)(=O)=O)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.51
CFD P00746 1/20 0.48
PKM P14618 1/20 0.47
GAA P10253 3/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
CA5A P35218 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CA12 O43570 1/20 0.43
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
APEX1 P27695 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 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
SCHEMBL6993529 0.86 MRGPRX4 (0.52) MRGPRX4CFDGAAMAPK1ALDH1A1
SCHEMBL8621838 0.82 MRGPRX4 (0.49) MRGPRX4CFDMAPK1ALDH1A1KDM4E
SCHEMBL6866159 0.80 CFD (0.70) MRGPRX4CFDGAAALDH1A1KDM4E
SCHEMBL7205819 0.80 CA2 (0.59) ALDH1A1KDM4ECA5ACA1CA2
SCHEMBL14880664 0.80 MAPT (0.48) PKMGAAALDH1A1KDM4ECA5A
SCHEMBL12837926 0.79 MRGPRX4 (0.57) MRGPRX4CFDGAAALDH1A1KDM4E
SCHEMBL384685 0.79 MRGPRX4 (0.57) MRGPRX4CFDGAAALDH1A1KDM4E
SCHEMBL7597341 0.79 MRGPRX4 (0.57) MRGPRX4CFDGAAALDH1A1KDM4E
SCHEMBL27648786 0.79 KLKB1 (0.65) ALDH1A1KDM4EHPGDCA5ACA1
SCHEMBL31252031 0.78 MRGPRX4 (0.59) MRGPRX4CFDGAAALDH1A1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003055857-A1 A PROCESS FOR SYNTHESIS OF HETEROCYCLIC AMINOALKYL BENZAMIDES FARMACEUTSKO-HEMIJSKA INDUSTRIJA 'ZDRAVLJE' (YU) 2003-07-10 WO claimed
CN-112441960-B Synthetic method of sulpiride 常州康普药业有限公司 2022-03-01 CN disclosed
CN-112441960-A Synthetic method of sulpiride 常州康普药业有限公司 2021-03-05 CN disclosed
CN-105646294-A Method for synthesizing 2-methoxy-5-sulfamoylmethyl benzoate 苏州诚和医药化学有限公司 2016-06-08 CN disclosed
CN-105481733-A Method for synthesizing 2-methoxy-5-aminosulfonylmethyl benzoate by one-step method SUZHOU CHENGHE PHARMACEUTICAL & CHEMICAL CO LTD 2016-04-13 CN disclosed
CN-105481733-A Method for synthesizing 2-methoxy-5-aminosulfonylmethyl benzoate by one-step method SUZHOU CHENGHE PHARMACEUTICAL & CHEMICAL CO LTD 2016-04-13 CN disclosed
WO-2003055857-A1 A PROCESS FOR SYNTHESIS OF HETEROCYCLIC AMINOALKYL BENZAMIDES FARMACEUTSKO-HEMIJSKA INDUSTRIJA 'ZDRAVLJE' (YU) 2003-07-10 WO disclosed