SCHEMBL8666802

SCHEMBL8666802

Cc1ccccc1[S+]([O-])Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ACHE P22303 2/20 0.43
ALDH1A1 P00352 5/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2A6 P11509 2/20 0.32
CYP1A2 P05177 2/20 0.32
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
ESR1 P03372 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
SCHEMBL29189008 0.81 TSHR (0.32) TSHR
SCHEMBL235850 0.79 TSHR (0.47) TSHRACHEALDH1A1CA1CA2
SCHEMBL29468607 0.79 TSHR (0.47) TSHRACHEALDH1A1CA1CA2
SCHEMBL6508099 0.77 TSHR (0.45) TSHRACHEALDH1A1CA1CA2
SCHEMBL8999536 0.77 TSHR (0.45) TSHRACHEALDH1A1CA1CA2
SCHEMBL1642155 0.77 TSHR (0.45) TSHRACHEALDH1A1CA1CA2
SCHEMBL29726981 0.77 TSHR (0.45) TSHRACHEALDH1A1CA1CA2
SCHEMBL358581 0.75 TSHR (0.43) TSHRACHEALDH1A1CA1CA2
SCHEMBL20774081 0.75 TSHR (0.43) TSHRACHEALDH1A1CA1CA2
SCHEMBL2890886 0.75 TSHR (0.43) TSHRACHEALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3038612-B1 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS ICAHN SCHOOL MED MOUNT SINAI (US) 2020-07-29 EP disclosed
EP-3486237-A1 TRIAZINONE DERIVATIVE CONTAINING SULFONYL STRUCTURE AND PREPARATION METHOD THEREFOR, AND INSECTICIDAL AND BACTERICIDAL USES THEREOF Nankai University (CN) 2019-05-22 EP disclosed
EP-2766362-B1 SOLID FORMS OF NEMATOCIDAL SULFONAMIDES DU PONT (US) 2018-04-11 EP disclosed
CN-105175413-A Solid Forms Of Nematocidal Sulfonamides DU PONT 2015-12-23 CN disclosed
US-9040554-B2 Solid forms of nematocidal sulfonamides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-05-26 US disclosed
EP-2792360-A1 (1aR,12bS)-8-cyclohexyl-11-fluoro-N-((1-methylcyclopropyl)sulfonyl)-1a-((3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)carbonyl)-1,1a,2,2b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide for use in treating HCV IP Gesellschaft für Management mbH (DE) 2014-10-22 EP disclosed
EP-2766362-A1 SOLID FORMS OF NEMATOCIDAL SULFONAMIDES E. I. Du Pont de Nemours and Company (US) 2014-08-20 EP disclosed
US-20140228393-A1 SOLID FORMS OF NEMATOCIDAL SULFONAMIDES CORTEVA AGRISCIENCE LLC 2014-08-14 US disclosed
CN-103857677-A Solid forms of nematicidal sulfonamides DU PONT 2014-06-11 CN disclosed
WO-2013055584-A1 SOLID FORMS OF NEMATOCIDAL SULFONAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-04-18 WO disclosed
US-5744600-A VIRICIDES, ANTITUMOR AGENTS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1998-04-28 US disclosed
US-4697033-A INSECTICIDES SANDOZ LTD. (CH) 1987-09-29 US disclosed
US-4654360-A 1,2,3-trisubstituted indoles for treatment of inflammation SYNTEX (U.S.A.) INC. (US) 1987-03-31 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 (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-20140228393-A1 SOLID FORMS OF NEMATOCIDAL SULFONAMIDES MSL1, MLN, ABCG2 TSHR 4091/4885ACHE 150/4885ALDH1A1 1558/4885

“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.