SCHEMBL196856

SCHEMBL196856

[O-][S+](Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.46
SLC6A4 P31645 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
CHRNA4 P43681 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
AGXT P21549 2/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAOB P27338 1/20 0.37
POLB P06746 1/20 0.36
CHRM2 P08172 1/20 0.35
AOC3 Q16853 1/20 0.35

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
SCHEMBL4341805 0.87 MAOB (0.47) IDO1AGXTMAOB
SCHEMBL18239238 0.81 PYCR1 (0.41) IDO1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL19649630 0.80 IDO1 (0.42) IDO1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL19385816 0.80 MEN1 (0.40) TAAR1LMNAMEN1KMT2AALDH1A1
SCHEMBL9625907 0.80 IDO1 (0.34) IDO1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL828064 0.78 AOC3 (0.42) SLC6A4MEN1KMT2AAOC3
SCHEMBL9490107 0.78 IDO1 (0.50) IDO1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL12858571 0.77 CYP2D6 (0.36) IDO1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL3230192 0.77 CNR1 (0.40) HTR2ATAAR1LMNAMEN1KMT2A
SCHEMBL11431913 0.75 HDAC1 (0.49) LMNAMEN1KMT2AALDH1A1POLB

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 20 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-104531397-A Cleaning solution for sheet glass substrate thinning pre-cleaning, and application thereof HUIJING DISPLAY TECHNOLOGY SUZHOU CO LTD 2015-04-22 CN claimed
CN-117778339-A Sulfoxide reductase mutant and application thereof in preparation of chiral sulfoxide and sulfinyl ester 遵义医科大学 2024-03-29 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-114181165-B Heterocyclic sulfoxide compound, preparation method thereof and application thereof in preparation of pseudomonas aeruginosa quorum sensing inhibitor 浙江工业大学 2023-07-11 CN disclosed
CN-114181165-A Heterocyclic sulfoxide compound, preparation method thereof and application of heterocyclic sulfoxide compound in preparation of pseudomonas aeruginosa quorum sensing inhibitor 浙江工业大学 2022-03-15 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-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
CN-104531397-A Cleaning solution for sheet glass substrate thinning pre-cleaning, and application thereof HUIJING DISPLAY TECHNOLOGY SUZHOU CO LTD 2015-04-22 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-8293905-B2 Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 US disclosed
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2010-11-18 US disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 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
US-7579587-B2 Thermally assisted membrane introduction mass spectrometry (MIMS) interface and method of use thereof VANCOUVER ISLAND UNIVERSITY (CA) 2009-08-25 US disclosed
US-20070181799-A1 THERMALLY ASSISTED MEMBRANE INTRODUCTION MASS SPECTROMETRY (MIMS) INTERFACE AND METHOD OF USE THEREOF MALASPINA UNIVERSITY-COLLEGE (CA) 2007-08-09 US disclosed
US-4514307-A MIXING WITH LIME AND FLY ASH AND WATER TO FORM CEMENTITIOUS CONSTRUCTION MATERIAL CONVERSION SYSTEMS, INC. (US) 1985-04-30 US 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 (4 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 358/4885SLC6A4 2686/4885SLC6A2 3888/4885
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 IDO1 602/4885SLC6A4 1578/4885SLC6A2 2134/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 IDO1 914/4885SLC6A4 2845/4885SLC6A2 2788/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR IDO1 447/4885SLC6A4 789/4885SLC6A2 350/4885

“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.