SCHEMBL4169646

SCHEMBL4169646

COC(=O)C(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
ESR2 Q92731 1/20 0.43
LPL P06858 4/20 0.42
LIPG Q9Y5X9 4/20 0.42
AAK1 Q2M2I8 1/20 0.42
DGAT1 O75907 1/20 0.41
P4HB P07237 1/20 0.41
F11 P03951 2/20 0.40
F2 P00734 1/20 0.40

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
SCHEMBL10572 0.85 LIPG (0.45) CA1CA2CA9CA12CA3
SCHEMBL16277969 0.85 CA1 (0.43) CA1CA2CA9CA12CA3
SCHEMBL27629144 0.84 LIPG (0.47) CA1CA2CA9CA12CA3
SCHEMBL18241160 0.83 PTGS1 (0.50) HPGDCA1CA2CA9LPL
SCHEMBL1678838 0.83 LIPG (0.50) HPGDCA1CA2CA9CA12
SCHEMBL3179203 0.81 F11 (0.48) CA1CA2CA9CA12CA3
SCHEMBL14709223 0.81 LIPG (0.50) CA1CA2CA9CA12CA3
SCHEMBL16334122 0.81 DGAT1 (0.42) CA1CA2CA9CA12CA3
SCHEMBL23306117 0.79 ACACB (0.45) HPGDCA1CA2CA9CA12
SCHEMBL23815133 0.79 DGAT1 (0.38) HPGDAAK1DGAT1F11F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026102082-A1 ALKYLPHENYL SUBSTITUTED COMPOUNDS, COMPOSITIONS AND METHODS OF USE DEEP APPLE THERAPEUTICS, INC. (US) 2026-05-15 WO disclosed
EP-4594303-A1 QUINOLINE COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF New York University (US) 2025-08-06 EP disclosed
WO-2024072870-A1 QUINOLINE COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF NEW YORK UNIVERSITY (US) 2024-04-04 WO disclosed
US-20230312544-A1 COMPOUNDS USEFUL FOR INHIBITING RET KINASE LOXO ONCOLOGY, INC. 2023-10-05 US disclosed
CN-110506044-B BRD4 inhibitor and preparation and application thereof 中国科学院上海药物研究所 2022-07-05 CN disclosed
CN-110506044-A A kind of BRD4 inhibitor and its preparation and application SHANGHAI INST MATERIA MEDICA CAS 2019-11-26 CN disclosed
US-9193736-B2 PDE 10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA, NV (BE) 2015-11-24 US disclosed
US-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US disclosed
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US disclosed
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US disclosed
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 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 (4 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-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes PDE2A, PDE3B, PDE3A HPGD 506/4885CA1 3580/4885CA2 721/4885
US-20230312544-A1 COMPOUNDS USEFUL FOR INHIBITING RET KINASE RET, GFRA3, GFRA1 HPGD 4187/4885CA1 3060/4885CA2 2550/4885
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes SGK1, SGK2, SGK3 HPGD 1138/4885CA1 4276/4885CA2 2486/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 HPGD 1149/4885CA1 3883/4885CA2 2003/4885

“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.