Sugi Predict

Sugi Predict / Compounds / SCHEMBL190203

SCHEMBL190203

SCHEMBL190203

CC(C)(O)C(C)(C)OB(O)c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 14/20 0.44
▸ CA1 P00915 13/20 0.44
▸ CA12 O43570 10/20 0.43
▸ CA9 Q16790 10/20 0.43
▸ CA14 Q9ULX7 2/20 0.40
▸ CA4 P22748 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ STAT3 P40763 1/20 0.38
▸ NR1H3 Q13133 1/20 0.36
▸ CA5A P35218 1/20 0.36

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
SCHEMBL790008 0.84 CA2 (0.43) CA2CA1CA12CA9CA14
SCHEMBL15533138 0.80 CA2 (0.52) CA2CA1CA12CA9CA14
SCHEMBL1032711 0.79 ALDH1A1 (0.50) CA2CA1CA12CA9CA14
SCHEMBL517851 0.77 ENPP2 (0.48) CA2CA12CA9CA14CA5A
SCHEMBL16223353 0.77 ACHE (0.35) —
SCHEMBL9893667 0.77 POLB (0.45) —
SCHEMBL3518819 0.76 CYP26B1 (0.46) —
SCHEMBL16010449 0.76 MGLL (0.39) —
SCHEMBL4592239 0.76 PGR (0.35) —
SCHEMBL3036815 0.75 ENPP2 (0.39) NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912935-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-04-23 — — EP claimed
WO-2007015809-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 — — WO claimed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 — — US claimed
US-20230111917-A1 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2023-04-13 — — US disclosed
CN-108026110-B Fused tricyclic compounds as protein kinase inhibitors 国家公共部门基金会卡洛斯三世国家癌症研究中心(F.S.P.CNIO) 2022-02-08 — — CN disclosed
EP-3341376-B1 CONDENSED TRICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS FUNDACION DEL SECTOR PUBLICO ESTATAL CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III F S P CNIO (ES) 2020-12-23 — — EP disclosed
US-10208056-B2 Condensed tricyclic compounds as protein kinase inhibitors Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) 2019-02-19 — — US disclosed
US-20180244687-A1 CONDENSED TRICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) 2018-08-30 — — US disclosed
EP-2714677-B1 PYRIDINE-AND PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-08-22 — — EP disclosed
EP-3341376-A1 CONDENSED TRICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS Fundacion del Sector Publico Estatal Centro Nacional de Investigaciones Oncologicas Carlos III (F.S.P. CNIO) (ES) 2018-07-04 — — EP disclosed
US-9943519-B2 Pharmaceutical compounds GENENTECH, INC. (US) 2018-04-17 — — US disclosed
US-20100009963-A1 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-14 — — US disclosed
WO-2009133127-A1 FUSED BICYCLIC COMPOUNDS AND USE THEREOF AS PI3K INHIBITORS MERCK SERONO S.A. (CH) 2009-11-05 — — WO disclosed
WO-2009066084-A1 2 -MORPHOLINOPYRIMIDINES AND THEIR USE AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-05-28 — — WO disclosed
EP-2041139-A2 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-01 — — EP disclosed
EP-1912935-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-04-23 — — EP disclosed
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIRAMED LIMITED (GB) 2008-03-27 — — US disclosed
WO-2007127175-A2 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-08 — — WO disclosed
WO-2007015809-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 — — WO disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 — — 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 (6 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-20230111917-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 CA2 2766/4885CA1 4815/4885CA12 4852/4885
US-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 CA2 2766/4885CA1 4815/4885CA12 4852/4885
US-20070021442-A1 HIV reverse transcriptase inhibitors POLRMT, RNGTT, POLR2E CA2 4128/4885CA1 4588/4885CA12 4671/4885
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIK3CA, PIK3CD, PIK3CB CA2 2675/4885CA1 4076/4885CA12 4828/4885
US-20180244687-A1 CONDENSED TRICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS CDK8, CDK18, CDK2 CA2 3589/4885CA1 4093/4885CA12 4253/4885
US-10208056-B2 Condensed tricyclic compounds as protein kinase inhibitors CDK8, CDK18, CDK2 CA2 3589/4885CA1 4093/4885CA12 4253/4885

“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.