SCHEMBL9222001

SCHEMBL9222001

C[S+]([O-])c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PNMT P11086 2/20 0.35
CHRM5 P08912 1/20 0.34
TAAR1 Q96RJ0 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR2 Q92731 1/20 0.33
PARP1 P09874 1/20 0.33
PGR P06401 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
FBP1 P09467 1/20 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
SCHEMBL15109021 1.00 ALDH1A1 (0.39) ALDH1A1TSHRTDP1PNMTCHRM5
SCHEMBL29726985 1.00 ALDH1A1 (0.39) ALDH1A1TSHRTDP1PNMTCHRM5
SCHEMBL20048841 1.00 ALDH1A1 (0.39) ALDH1A1TSHRTDP1PNMTCHRM5
SCHEMBL29404871 0.81 ALDH1A1 (0.42) ALDH1A1TSHRTDP1PNMTCHRM5
SCHEMBL2197905 0.81 ALDH1A1 (0.42) ALDH1A1TSHRTDP1PNMTCHRM5
SCHEMBL18331401 0.79 ALDH1A1 (0.41) ALDH1A1TSHRTDP1PNMTCHRM5
SCHEMBL8274402 0.77 ALDH1A1 (0.44) ALDH1A1TSHRTDP1PNMTCHRM5
SCHEMBL20048803 0.77 ALDH1A1 (0.44) ALDH1A1TSHRTDP1PNMTCHRM5
SCHEMBL17071828 0.75 TSHR (0.44) ALDH1A1TSHR
SCHEMBL4592337 0.75 ALDH1A1 (0.46) ALDH1A1TSHRTDP1PNMTCHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117757763-A Sulfoxide reductase mutant and application thereof in chiral sulfoxide preparation 遵义医科大学 2024-03-26 CN disclosed
US-11802110-B2 2-amino-N-(arylsulfinyl)-acetamide compounds as inhibitors of bacterial aminoacyl-tRNA synthetase Oxford Drug Design Limited (GB) 2023-10-31 US disclosed
CN-114657580-B Electrocatalytic diazonium salt methyl sulfoxide method and methyl sulfoxide derivative 武汉纺织大学 2023-08-29 CN disclosed
CN-114657580-A Electrocatalytic diazoate methylsulfonylation method and methyl sulfoxide derivative 武汉纺织大学 2022-06-24 CN disclosed
CN-105709826-B The preparation method and catalyst of a kind of corproporphyrin catalyst that axial direction is immobilized and application 中国科学院大连化学物理研究所 2018-08-21 CN disclosed
WO-2018065611-A1 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE Oxford Drug Design Limited (GB) 2018-04-12 WO disclosed
EP-1765348-B1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2016-08-03 EP disclosed
CN-105709826-A Preparation method of axially-immobilized porphyrin-like catalyst, catalyst and application of catalyst 中国科学院大连化学物理研究所 2016-06-29 CN disclosed
EP-1696912-B1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2016-05-11 EP disclosed
EP-1673087-B1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2015-05-13 EP disclosed
EP-1846419-B1 Alkoxy-substituted thiazoloquinolines and thiazolonaphthyridines 3M INNOVATIVE PROPERTIES CO (US) 2014-04-16 EP disclosed
US-7776582-B2 for gas chromatography; identifying an optically enhanced chiral ionic liquid (OCIL) for enantiomeric resolution SIGMA-ALDRICH CO. (US) 2010-08-17 US disclosed
US-7776582-B2 for gas chromatography; identifying an optically enhanced chiral ionic liquid (OCIL) for enantiomeric resolution SIGMA-ALDRICH CO. (US) 2010-08-17 US disclosed
US-20090145197-A1 Optically Enhanced Chiral Ionic Liquids SIGMA-ALDRICH CO. NEWCO INC. 2009-06-11 US disclosed
US-20090145197-A1 Optically Enhanced Chiral Ionic Liquids SIGMA-ALDRICH CO. NEWCO INC. 2009-06-11 US disclosed
US-5409893-A Administering with platinum complexes BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1995-04-25 US disclosed
EP-0471709-B1 RUTHENIUM(III) COMPLEXES AS ANTINEOPLASTIC AGENTS BOEHRINGER MANNHEIM ITALIA (IT) 1994-11-30 EP disclosed
EP-0471709-A1 RUTHENIUM(III) COMPLEXES AS ANTINEOPLASTIC AGENTS. BOEHRINGER MANNHEIM ITALIA (IT) 1992-02-26 EP disclosed
WO-1990013553-A1 RUTHENIUM(III) COMPLEXES AS ANTINEOPLASTIC AGENTS BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1990-11-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11802110-B2 2-amino-N-(arylsulfinyl)-acetamide compounds as inhibitors of bacterial aminoacyl-tRNA synthetase AARS1, NSUN3, GARS1 ALDH1A1 1814/4885TSHR 1674/4885TDP1 1968/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.