SCHEMBL9356342

SCHEMBL9356342

COS(=O)(=O)O.C[S+](C)c1ccc(OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.53

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.53
KDM1A O60341 1/20 0.40
CA2 P00918 5/20 0.40
OGA O60502 1/20 0.32
MAPKAPK2 P49137 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 4/20 0.32
CA1 P00915 4/20 0.32
CA9 Q16790 4/20 0.32

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
SCHEMBL9574184 0.90 ELANE (0.51) ELANEKDM1ACA2OGAMAPKAPK2
SCHEMBL8387548 0.89 ELANE (0.64) ELANEKDM1ACA2OGAMAPKAPK2
SCHEMBL9442127 0.87 ELANE (0.38) ELANEKDM1ACA2
SCHEMBL9619081 0.82 MAPT (0.37) ELANEPOLBMAPTPKMMEN1
SCHEMBL9442120 0.79 PKM (0.39) ELANECA2POLBMAPTPKM
SCHEMBL9355880 0.79 MMP2 (0.32) ELANE
SCHEMBL8323108 0.78 ELANE (0.66) ELANEKDM1ACA2OGAMAPKAPK2
SCHEMBL8319671 0.78 ELANE (0.57) ELANEKDM1ACA2MAPKAPK2POLB
SCHEMBL4061370 0.78 ELANE (0.81) ELANEKDM1ACA2MAPKAPK2MAPT
SCHEMBL9356273 0.77 ELANE (0.42) ELANEMAPTKMT2A

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
EP-0401696-B1 Process for production of sulfonium compounds and novel methylthiophenyl derivatives MITSUBISHI GAS CHEMICAL CO (JP) 1994-09-14 EP disclosed
US-5187311-A Intermediates for sulfonium compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-02-16 US disclosed
EP-0346756-B1 PROCESS FOR PRODUCTION OF SULFONIUM COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-10-28 EP disclosed
US-5075476-A Reacting alkylthiophenyl carbonates with dialkyl sulfates in presence of carbonates, bicarbonates, oxides or hydroxides of group I or II metals MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-12-24 US disclosed
US-5021197-A Reacting a p-dialkylsulfoniophenol with a carbonyl halogenide in the presence of a secondary amine MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-06-04 US disclosed
EP-0401696-A2 Process for production of sulfonium compounds and novel methylthiophenyl derivatives MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1990-12-12 EP disclosed
EP-0346756-A1 Process for production of sulfonium compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-12-20 EP disclosed