SCHEMBL3563229

SCHEMBL3563229

CC(C)(C)COS(=O)(=O)c1cccc(B(O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.40
MGLL Q99685 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LPL P06858 2/20 0.36
LIPG Q9Y5X9 2/20 0.36
NLRP3 Q96P20 1/20 0.34
PSMB5 P28074 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 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
SCHEMBL29957661 0.83 ENPP2 (0.50) ENPP2MGLLCA1CA2KDM4E
SCHEMBL28787125 0.81 CA12 (0.36) ENPP2CA12CA1CA2CA9
SCHEMBL196831 0.81 HSD17B1 (0.36) CA12CA1CA2CA9KDM4E
SCHEMBL3562296 0.78 ATM (0.39) CA1CA2CA9
SCHEMBL197879 0.78 MEN1 (0.44) ALDH1A1
SCHEMBL14973213 0.78 MAPT (0.48) CA1CA2ALDH1A1
SCHEMBL3995691 0.77 ENPP2 (0.52) ENPP2MGLLCA1CA2KDM4E
SCHEMBL5590961 0.77 PSIP1 (0.43) CA12CA1CA2CA9KDM4E
SCHEMBL14972938 0.75 MCOLN3 (0.45) CA12CA1CA2CA9NR1H3
SCHEMBL14973082 0.73 KMT2A (0.36) CA12CA1CA2CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3972649-B1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS AG (CH) 2026-05-13 EP disclosed
WO-2025104079-A1 SALICYLIC ACID AND PICOLINIC ACID DERIVATIVES AS INHIBITORS OF ENERGY COUPLING FACTOR (ECF) TRANSPORTERS FOR THE TREATMENT OF BACTERIAL INFECTIONS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2025-05-22 WO disclosed
US-20240368096-A1 Fused Heterobicyclic Antiviral Agents ENANTA PHARMACEUTICALS, INC. 2024-11-07 US disclosed
WO-2024186839-A1 BICYCLIC ARYL SULFONAMIDES, SULFONES, AND SULFONATE ESTERS AS ANTI-PARASITIC AGENTS UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2024-09-12 WO disclosed
US-20240140922-A1 FUSED HETEROBICYCLIC ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2024-05-02 US disclosed
WO-2024044183-A1 FUSED HETEROBICYCLIC ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2024-02-29 WO disclosed
WO-2024044183-A1 FUSED HETEROBICYCLIC ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2024-02-29 WO disclosed
US-20240042051-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE LES LABORATOIRES SERVIER (FR) 2024-02-08 US disclosed
EP-4251208-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE Novartis AG (CH) 2023-10-04 EP disclosed
US-20230092679-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-03-23 US disclosed
EP-2694495-A1 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-02-12 EP disclosed
WO-2012136603-A1 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-10-11 WO disclosed
US-20120253035-A1 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-10-04 US disclosed
EP-2468727-A1 Pyridine and pyrimidine derivatives as MGLUR2 antagonists F. Hoffmann-La Roche AG (CH) 2012-06-27 EP disclosed
US-8183262-B2 Central nervous system disorders; metabotropic glutamate receptors (mGluR); 2-(4-Pyridin-3-yl-imidazol-1-yl)-4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidine HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
US-7642264-B2 Phenyl-substituted pyrimidine derivatives as mGluR antagonists HOFFMAN-LA ROCHE INC. (US) 2010-01-05 US disclosed
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GATTI MCARTHUR SILVIA 2009-12-24 US disclosed
EP-2001849-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-12-17 EP disclosed
US-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists HOFFMANN-LA ROCHE INC. 2007-10-04 US disclosed
WO-2007110337-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 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 (7 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-20240368096-A1 Fused Heterobicyclic Antiviral Agents HAVCR2, HDGF, SLC10A1 ENPP2 1684/4885MGLL 3875/4885CA12 2826/4885
US-20230092679-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE MCL1, BCL9, BAK1 ENPP2 1880/4885MGLL 2891/4885CA12 3785/4885
US-20240140922-A1 FUSED HETEROBICYCLIC ANTIVIRAL AGENTS HAVCR2, HDGF, SLC10A1 ENPP2 1583/4885MGLL 3602/4885CA12 2923/4885
US-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists P2RX2, P2RY2, P2RX1 ENPP2 1689/4885MGLL 3560/4885CA12 4707/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 ENPP2 966/4885MGLL 3558/4885CA12 4792/4885
US-20120253035-A1 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN2 ENPP2 655/4885MGLL 2510/4885CA12 815/4885
US-20240042051-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE MCL1, CD58, LENG8 ENPP2 1030/4885MGLL 3903/4885CA12 2349/4885

“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.