SCHEMBL486719

SCHEMBL486719

CS(=N)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.57
CA1 P00915 5/20 0.57
CA12 O43570 5/20 0.57
CA9 Q16790 5/20 0.57
CA14 Q9ULX7 4/20 0.57
CA3 P07451 3/20 0.57
CA4 P22748 3/20 0.57
CA6 P23280 3/20 0.57
CA5A P35218 3/20 0.57
CA7 P43166 3/20 0.57
CA13 Q8N1Q1 3/20 0.57
CA5B Q9Y2D0 3/20 0.57
ACHE P22303 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
BCHE P06276 1/20 0.47

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
SCHEMBL17645102 1.00 CA2 (0.57) CA2CA1CA12CA9CA14
SCHEMBL5501401 0.82 CA2 (0.61) CA2CA1CA12CA9CA14
SCHEMBL515001 0.82 CA1 (0.61) CA2CA1CA12CA9CA14
SCHEMBL2307427 0.79 CA1 (0.53) CA2CA1CA12CA9CA14
SCHEMBL1416363 0.79 KMT2A (0.68) CA2CA1CA5AACHEMMP1
SCHEMBL29382330 0.78 CA2 (0.57) CA2CA1CA12CA9CA14
SCHEMBL1498131 0.77 CA2 (0.61) CA2CA1CA12CA9CA14
SCHEMBL17295223 0.77 CA2 (0.60) CA2CA1CA12CA9CA14
SCHEMBL11855965 0.77 CA2 (0.67) CA2CA1CA12CA9CA14
SCHEMBL3158508 0.77 CA2 (0.67) CA2CA1CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112390697-B Synthesis method of N-arylselenium/thioethyl sulfoxide imine 成都理工大学 2023-03-10 CN claimed
CN-112390697-A Synthesis method of N-arylselenium/thioethyl sulfoxide imine 成都理工大学 2021-02-23 CN claimed
EP-4713096-A1 CDK INHIBITOR COMPOUNDS Aleksia Therapeutics, Inc. (US) 2026-03-25 EP disclosed
US-12577267-B2 Pyrimidine compounds for use as MAP4K1 inhibitors GLENMARK SPECIALITY S.A. (CH) 2026-03-17 US disclosed
WO-2025073057-A1 METHODS FOR PREPARING SULFILIMINES AND SULFOXIMINES FROM THIOETHERS USING O-(DIPHENYLPHOSPHINYL)HYDROXYL AMINE (DPPH), AND AMATOXIN ANALOGS PREPARED FROM SUCH METHODS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2025-04-10 WO disclosed
WO-2024238574-A1 CDK INHIBITOR COMPOUNDS ALEKSIA THERAPEUTICS, INC. (US) 2024-11-21 WO disclosed
EP-4367123-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS Glenmark Specialty S.A. (CH) 2024-05-15 EP disclosed
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 US disclosed
US-11643416-B2 Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors G1 THERAPEUTICS, INC. (US) 2023-05-09 US disclosed
CN-112390697-B Synthesis method of N-arylselenium/thioethyl sulfoxide imine 成都理工大学 2023-03-10 CN disclosed
CN-115667264-A Novel imidazo-pyrazine derivatives 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
US-20060217353-A1 24-sulfoximine vitamin D3 compounds CYTOCHROMA INC. (CA) 2006-09-28 US disclosed
US-7101865-B2 24-sulfoximine vitamin D3 compounds CYTOCHROMA INC. (CA) 2006-09-05 US disclosed
EP-1673352-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES FOR USE AS CDK AND/OR VEGF INHIBITORS, THE PRODUCTION THEREOF AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-28 EP disclosed
WO-2005037800-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES FOR USE AS CDK AND/OR VEGF INHIBITORS, THE PRODUCTION THEREOF AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-28 WO disclosed
EP-1511725-A1 24-SULFOXIMINE VITAMIN D sb 3 /sb COMPOUNDS Johns Hopkins University (US) 2005-03-09 EP disclosed
US-20040038949-A1 24-sulfoximine vitamin D3 compounds JOHNS HOPKINS UNIVERSITY 2004-02-26 US disclosed
WO-2003106411-A1 24-SULFOXIMINE VITAMIN D3 COMPOUNDS JOHNS HOPKINS UNIVERSITY (US) 2003-12-24 WO disclosed
US-4556413-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1985-12-03 US disclosed
EP-0109575-A2 Benzoic-acid derivatives, process and means for its production F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-05-30 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 (5 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-20040038949-A1 24-sulfoximine vitamin D3 compounds CYP24A1, CYP2R1, CYP27B1 CA2 2871/4885CA1 3379/4885CA12 2566/4885
US-12577267-B2 Pyrimidine compounds for use as MAP4K1 inhibitors PTK2B, MAP3K10, MAP3K20 CA2 3761/4885CA1 4878/4885CA12 4564/4885
US-20060217353-A1 24-sulfoximine vitamin D3 compounds CYP24A1, CYP2R1, CYP27B1 CA2 3149/4885CA1 3533/4885CA12 2864/4885
US-11643416-B2 Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors CDK2, CCNI, CCNK CA2 2006/4885CA1 3820/4885CA12 4658/4885
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP3K4, MAP4K2 CA2 4746/4885CA1 4870/4885CA12 4883/4885

“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.