SCHEMBL1241096

SCHEMBL1241096

Nc1ncc(S(N)(=O)=O)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.56
SLC6A3 Q01959 1/20 0.56
NOS1 P29475 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CA2 P00918 9/20 0.40
CA1 P00915 6/20 0.40
CA12 O43570 5/20 0.40
CA9 Q16790 5/20 0.40
CA4 P22748 3/20 0.40
CA7 P43166 3/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA13 Q8N1Q1 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5B Q9Y2D0 1/20 0.40
MYC P01106 1/20 0.35
WDR5 P61964 1/20 0.35
LOXL2 Q9Y4K0 3/20 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
SCHEMBL1062364 0.80 ADORA3 (0.55) ADORA3SLC6A3NOS1ALDH1A1HPGD
SCHEMBL3474793 0.80 ADORA3 (0.55) ADORA3SLC6A3NOS1ALDH1A1HPGD
SCHEMBL28327828 0.80 ADORA3 (0.55) ADORA3SLC6A3NOS1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL28327830 0.78 ADORA3 (0.53) ADORA3SLC6A3NOS1ALDH1A1HPGD
SCHEMBL11605900 0.77 ADORA3 (0.51) ADORA3SLC6A3NOS1ALDH1A1HPGD
SCHEMBL1348513 0.76 CA2 (0.40) ADORA3SLC6A3CA2CA1CA12
SCHEMBL30307792 0.76 CA2 (0.37) ADORA3SLC6A3CA2CA1CA12
SCHEMBL5515612 0.76 CA2 (0.44) ADORA3SLC6A3CA2CA1CA12
SCHEMBL1063493 0.75 ADORA3 (0.50) ADORA3SLC6A3NOS1ALDH1A1HPGD
SCHEMBL2649270 0.75 ADORA3 (0.50) ADORA3SLC6A3NOS1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111690171-B Flame retardant and flame-retardant PC plastic 广州森赛逖康化工科技有限公司 2022-07-05 CN claimed
CN-111690171-A Flame retardant and flame-retardant PC plastic 宁波保税区君一汽配科技有限公司 2020-09-22 CN claimed
EP-1851225-B1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-06-15 EP claimed
JP-2008530042-A 2008-08-07 JP claimed
US-7361659-B2 Pyrrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-04-22 US claimed
EP-1851225-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-11-07 EP claimed
US-20060183756-A1 Pyrrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-08-17 US claimed
WO-2006084634-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-08-17 WO claimed
CN-111433203-B Enantiomer of substituted thiazoles as antiviral compounds 创新分子股份有限公司 2024-02-13 CN disclosed
EP-4209491-A1 ENANTIOMERS OF SUBSTITUTED THIAZOLES AS ANTIVIRAL COMPOUNDS Innovative Molecules GmbH (DE) 2023-07-12 EP disclosed
EP-3692039-B1 ENANTIOMERS OF SUBSTITUTED THIAZOLES AS ANTIVIRAL COMPOUNDS INNOVATIVE MOLECULES GMBH (DE) 2022-12-14 EP disclosed
CN-109071473-B Antiviral compounds 创新分子股份有限公司 2022-12-09 CN disclosed
CN-111690171-B Flame retardant and flame-retardant PC plastic 广州森赛逖康化工科技有限公司 2022-07-05 CN disclosed
US-20220152008-A1 Enantiomers Of Substituted Thiazoles As Antiviral Compounds INNOVATIVE MOLECULES GMBH (DE) 2022-05-19 US disclosed
WO-2003007946-A1 SECONDARY 1,3-THIAZOLE-5-YL SULFONAMIDE DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2003-01-30 WO disclosed
US-6500817-B1 HERPES SIMPLEX BAYER AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1244641-A1 THIAZOLYL AMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2002-10-02 EP disclosed
EP-1161423-A1 THIAZOLYL UREA DERIVATIVES AND THEIR UTILIZATION AS ANTIVIRAL AGENTS Bayer Aktiengesellschaft (DE) 2001-12-12 EP disclosed
WO-2001047904-A1 THIAZOLYL AMIDE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-07-05 WO disclosed
WO-2000053591-A1 THIAZOLYL UREA DERIVATIVES AND THEIR UTILIZATION AS ANTIVIRAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2000-09-14 WO 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-20220152008-A1 Enantiomers Of Substituted Thiazoles As Antiviral Compounds EIF2AK2, MAVS, ZC3HAV1 ADORA3 669/4885SLC6A3 1548/4885NOS1 4327/4885
US-20060183756-A1 Pyrrazolo-pyrimidine derivatives GRM1, GRM2, GRM3 ADORA3 61/4885SLC6A3 1417/4885NOS1 3387/4885

“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.