SCHEMBL3387953

SCHEMBL3387953

COc1ccc(C[S+]([O-])Cc2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
AGXT P21549 2/20 0.48
LTA4H P09960 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 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
SCHEMBL5519899 0.84 IDO1 (0.50) IDO1CA12CA1CA2CA7
SCHEMBL18239234 0.83 PYCR1 (0.46) IDO1CA12CA1CA2CA7
SCHEMBL10539816 0.80 CA1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL827300 0.80 AOC3 (0.49) IDO1CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL11202551 0.80 CA1 (0.44) IDO1CA1CA2AGXTTAAR1
SCHEMBL7594444 0.79 SLC6A4 (0.48) IDO1CA12CA1CA2CA7
SCHEMBL7673581 0.79 IDO1 (0.50) IDO1CA12CA1CA2CA7
SCHEMBL11432184 0.78 BMP1 (0.49)
SCHEMBL827804 0.77 TDP1 (0.49) LTA4HALDH1A1SMN1; SMN2KDM4E
SCHEMBL20892218 0.76 NR1D1 (0.42) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112481224-A Baeyer-Villiger monooxygenase and application thereof 江南大学 2021-03-12 CN claimed
CN-119685854-A Catalyst for preparing sulfone, preparation method thereof and application of catalyst in preparing sulfone by electrocatalytic oxidation of sulfoxide 齐鲁工业大学(山东省科学院) 2025-03-25 CN disclosed
CN-113304775-B Graphene oxide supported molybdenum catalyst with surface chemically grafted, and preparation and application thereof 沈阳药科大学 2023-05-26 CN disclosed
CN-107983408-B Method for preparing sulfoxide catalyst and selectively preparing sulfoxide compound by using sulfoxide catalyst 三峡大学 2021-05-18 CN disclosed
CN-112481224-A Baeyer-Villiger monooxygenase and application thereof 江南大学 2021-03-12 CN disclosed
CN-109485587-B Method for preparing sulfoxide compound by one-step reaction of benzyl chloride compound and thiophenol under metal-free condition 陕西师范大学 2020-10-16 CN disclosed
CN-107033162-B Preparation of 7-phenylacetamide-3-chloromethyl cephalosporanic acid p-methoxybenzyl ester 湖北凌晟药业有限公司 2020-05-01 CN disclosed
CN-109485587-A The method that benzyl chlorides chemical compound and thiophenol prepare sulfoxide compound in no metal condition next step reaction 陕西师范大学 2019-03-19 CN disclosed
US-8367871-B2 Process for production of optically active sulfoxide compound using iron-salan complex catalyst NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-02-05 US disclosed
US-20100094037-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE SULFOXIDE COMPOUND USING IRON-SALAN COMPLEX CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-15 US disclosed
EP-0859770-A4 1998-10-07 EP disclosed
EP-0859770-A1 PROCESS FOR THE SYNTHESIS OF BENZO b]THIOPHENES ELI LILLY AND COMPANY (US) 1998-08-26 EP disclosed
WO-1996040676-A1 PROCESS FOR THE SYNTHESIS OF BENZO[b]THIOPHENES ELI LILLY AND COMPANY (US) 1996-12-19 WO disclosed
EP-0089330-B1 PREPARATION OF SUBSTITUTED BENZYLIC HALIDES MONSANTO COMPANY (US) 1987-04-22 EP disclosed
US-4540522-A HALOGENATING A SUBSTITUTED ALKYL BENZYL SULFOXIDE MONSANTO COMPANY (US) 1985-09-10 US disclosed
EP-0089330-A2 Preparation of substituted benzylic halides MONSANTO COMPANY (US) 1983-09-21 EP 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-20100094037-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE SULFOXIDE COMPOUND USING IRON-SALAN COMPLEX CATALYST SCLY, SFXN1, SQOR IDO1 358/4885CA12 1912/4885CA1 2155/4885

“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.