SCHEMBL247557

SCHEMBL247557

CC(C)(O)C(C)(C)OB(O)c1ccc(C2CC2)nc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGDS O60760 2/20 0.30

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
SCHEMBL290041 0.79
SCHEMBL532324 0.79 KMT2A (0.36) KMT2A
SCHEMBL12814866 0.79 PDK1 (0.33) PDK1PDK2
SCHEMBL2346145 0.78 CYP3A4 (0.30)
SCHEMBL583753 0.78 DGAT1 (0.33)
SCHEMBL395314 0.78 KDM4E (0.36)
SCHEMBL3481867 0.77 ESR2 (0.37) MEN1KMT2A
SCHEMBL1502522 0.77 NNMT (0.37) PDK2MEN1KMT2A
SCHEMBL17654287 0.76
SCHEMBL584994 0.76 LDHA (0.39) HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158414-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2024-05-16 US disclosed
CN-117430596-A Di-parallel ring MAT2A inhibitor and application thereof 上海海和药物研究开发股份有限公司 2024-01-23 CN disclosed
EP-4041714-B1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-12-13 EP disclosed
EP-4041714-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2022-08-17 EP disclosed
EP-3402799-B1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-05-04 EP disclosed
WO-2021070132-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2021-04-15 WO disclosed
US-10759816-B2 Heterocyclic compounds as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-09-01 US disclosed
US-20190040084-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARM INC (US) 2019-02-07 US disclosed
EP-3402799-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2018-11-21 EP disclosed
US-20170226129-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2017-08-10 US disclosed
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
EP-2588104-B1 ISOINDOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-12-10 EP disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-8697690-B2 Isoindolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-04-15 US disclosed
EP-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
EP-2588104-A1 ISOINDOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2013-05-08 EP disclosed
US-20130109686-A1 ISOINDOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-05-02 US disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
WO-2012003147-A1 ISOINDOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-01-05 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 (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-20190040084-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS SIRT1, FURIN, SIRT5 NOTUM 1527/4885PDK1 851/4885PDK2 1697/4885
US-20130109686-A1 ISOINDOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRD1, OPRL1 NOTUM 3986/4885PDK1 2284/4885PDK2 3779/4885
US-20170226129-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS SIRT1, FURIN, SIRT5 NOTUM 1527/4885PDK1 851/4885PDK2 1697/4885
US-20240158414-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD NOTUM 1277/4885PDK1 95/4885PDK2 154/4885
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS SSTR5, SSTR2, SSTR4 NOTUM 3628/4885PDK1 629/4885PDK2 118/4885
US-10759816-B2 Heterocyclic compounds as RSV inhibitors SIRT1, FURIN, SIRT5 NOTUM 1527/4885PDK1 851/4885PDK2 1697/4885

“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.