SCHEMBL896403

SCHEMBL896403

C[S+]([O-])c1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.32
TAAR1 Q96RJ0 2/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30

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
SCHEMBL14951394 0.82 MAPK1 (0.41) ALDH1A1MAPK1TAAR1
SCHEMBL6863292 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10363496 0.75 ALDH1A1 (0.35) ALDH1A1MAPK1CA1CA2CA4
SCHEMBL10363237 0.75 ALDH1A1 (0.36) ALDH1A1TAAR1
SCHEMBL3201599 0.73 ALDH1A1 (0.41) ALDH1A1MAPK1TAAR1CA1CA2
SCHEMBL31005156 0.73 ALDH1A1 (0.41) ALDH1A1MAPK1TAAR1CA1CA2
SCHEMBL31568861 0.72 ALDH1A1 (0.38) ALDH1A1CA1CA2
SCHEMBL1642155 0.72 TSHR (0.45) ALDH1A1TAAR1CA1CA2
SCHEMBL6508099 0.72 TSHR (0.45) ALDH1A1TAAR1CA1CA2
SCHEMBL15109080 0.72 TSHR (0.45) ALDH1A1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163014-A1 PRODUCTION METHOD FOR EPISULFIDE COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2025-05-22 US claimed
EP-4491621-A1 PRODUCTION METHOD FOR EPISULFIDE COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2025-01-15 EP claimed
CN-118829634-A Method for producing episulfide compound 三菱瓦斯化学株式会社 2024-10-22 CN claimed
US-20250163014-A1 PRODUCTION METHOD FOR EPISULFIDE COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2025-05-22 US disclosed
EP-4491621-A1 PRODUCTION METHOD FOR EPISULFIDE COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2025-01-15 EP disclosed
CN-118829634-A Method for producing episulfide compound 三菱瓦斯化学株式会社 2024-10-22 CN disclosed
CN-118064908-A Method for realizing efficient and green electrocatalytic thioether oxidation through tetraminocobalt complex 大连理工大学 2024-05-24 CN disclosed
CN-117757763-A Sulfoxide reductase mutant and application thereof in chiral sulfoxide preparation 遵义医科大学 2024-03-26 CN disclosed
CN-117486662-A Method for synthesizing sulfoxide compound by heterogeneous catalysis 成都理工大学 2024-02-02 CN 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
US-20120080670-A1 COMPOUND CONTAINING A 5-MEMBERED HETEROCYCLE AND ORGANIC LIGHT-EMITTING DIODE USING SAME, AND TERMINAL FOR SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-04-05 US disclosed
US-20120080670-A1 COMPOUND CONTAINING A 5-MEMBERED HETEROCYCLE AND ORGANIC LIGHT-EMITTING DIODE USING SAME, AND TERMINAL FOR SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-04-05 US disclosed
WO-2010131855-A2 COMPOUND CONTAINING A 5-MEMBERED HETEROCYCLE AND ORGANIC LIGHT-EMITTING DIODE USING SAME, AND TERMINAL FOR SAME 덕산하이메탈(주) (KR) 2010-11-18 WO 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-6071927-A Spiro-piperidine derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2000-06-06 US disclosed
CN-1223656-A Spiro-piperidine derivatives and their use as therapeutic agents MERCK SHARP & DOHME (GB) 1999-07-21 CN 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 (2 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-20120080670-A1 COMPOUND CONTAINING A 5-MEMBERED HETEROCYCLE AND ORGANIC LIGHT-EMITTING DIODE USING SAME, AND TERMINAL FOR SAME NOTUM, OR10J3, PER2 ALDH1A1 210/4885MAPK1 4180/4885TAAR1 2953/4885
US-20250163014-A1 PRODUCTION METHOD FOR EPISULFIDE COMPOUND SULT1E1, ESR2, MRPL21 ALDH1A1 2081/4885MAPK1 3438/4885TAAR1 2623/4885

“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.