SCHEMBL789976

SCHEMBL789976

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)CC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.46
AAK1 Q2M2I8 1/20 0.41
DGAT1 O75907 1/20 0.38
CYP17A1 P05093 1/20 0.37
PIK3CA P42336 4/20 0.34
PIK3CD O00329 5/20 0.33
LRRK2 Q5S007 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL798867 0.88 ALPL (0.48) ALPLAAK1DGAT1PIK3CAPIK3CD
SCHEMBL14860356 0.88 ALPL (0.53) ALPLAAK1DGAT1PIK3CAPIK3CD
SCHEMBL789687 0.86 ALPL (0.47) ALPLAAK1DGAT1CYP17A1PIK3CA
SCHEMBL791103 0.85 ALPL (0.48) ALPLAAK1DGAT1PIK3CAPIK3CD
SCHEMBL109782 0.83 ALPL (0.52) ALPLPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL789432 0.81 ALPL (0.52) ALPLDGAT1CYP17A1PDGFRBKDR
SCHEMBL15462779 0.79 PIK3CA (0.51) ALPLPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL17022159 0.79 SLC22A12 (0.60) ALPLPIK3CASLC22A12
SCHEMBL789960 0.78 ALPL (0.48) ALPLAAK1PIK3CAPIK3CDPIK3CB
SCHEMBL15559069 0.77 ALPL (0.52) ALPLPIK3CAPIK3CDPIK3CBPIK3CG

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-4719385-A2 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINES AS ANTI-INFECTIOUS AGENTS University of Vermont and State Agricultural College (US) 2026-04-08 EP disclosed
CN-119585273-A CD73 inhibitor compounds 阿道尔克斯治疗有限公司 2025-03-07 CN disclosed
WO-2024249380-A2 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINES AS ANTI-INFECTIOUS AGENTS UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2024-12-05 WO disclosed
CN-116947903-A Inhibitors of complement factors and uses thereof 安尼艾克松股份有限公司 2023-10-27 CN disclosed
CN-116261564-A Inhibitors of complement factors and uses thereof 安尼艾克松股份有限公司 2023-06-13 CN disclosed
EP-2958564-B1 HETEROAROMATIC COMPOUNDS AS PI3 KINASE MODULATORS CALITOR SCIENCES LLC (US) 2018-05-09 EP disclosed
US-9573953-B2 Heteroaromatic compounds as PI3 kinase modulators and methods of use CALITOR SCIENCES, LLC (US) 2017-02-21 US disclosed
WO-2016207081-A1 IMINE DERIVATIVES AS HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-12-29 WO disclosed
EP-2958564-A1 HETEROAROMATIC COMPOUNDS AS PI3 KINASE MODULATORS Calitor Sciences, LLC (US) 2015-12-30 EP disclosed
WO-2014130375-A1 HETEROAROMATIC COMPOUNDS AS PI3 KINASE MODULATORS CALITOR SCIENCES, LLC (US) 2014-08-28 WO disclosed
US-20140234254-A1 HETEROAROMATIC COMPOUNDS AS PI3 KINASE MODULATORS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-08-21 US disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 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 (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-20140234254-A1 HETEROAROMATIC COMPOUNDS AS PI3 KINASE MODULATORS AND METHODS OF USE PIK3R1, PIK3R3, AKT3 ALPL 2207/4885AAK1 971/4885DGAT1 2356/4885

“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.