SCHEMBL992046

SCHEMBL992046

COc1cc(B(O)OC(C)(C)C(C)(C)O)ccn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
ACVR2A P27037 1/20 0.33
TGFBR2 P37173 1/20 0.33
SLC13A5 Q86YT5 1/20 0.32
FFAR1 O14842 1/20 0.30
KCNK3 O14649 1/20 0.30
KCNK9 Q9NPC2 1/20 0.30
PROKR1 Q8TCW9 1/20 0.30
SORT1 Q99523 1/20 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
SCHEMBL12816056 0.87
SCHEMBL1567949 0.86 ACACB (0.32) PROKR1
SCHEMBL12814831 0.85 ACACB (0.37)
SCHEMBL12816668 0.82
SCHEMBL1118010 0.82 UHRF1 (0.36)
SCHEMBL15311827 0.81 MKNK1 (0.32) LOXL2
SCHEMBL16012071 0.81 RECQL (0.34) LOXLOXL2
SCHEMBL1257059 0.81 NOS3 (0.38)
SCHEMBL22954215 0.79 LOX (0.44) LOXLOXL2ACVR2ATGFBR2SLC13A5
SCHEMBL16008776 0.78 CHRNA7 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924258-A Pyridone compound derivative and application thereof 复旦大学 2024-04-26 CN disclosed
CN-111205310-B Heterocyclic fused pyrimidine derivative, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2023-12-19 CN disclosed
CN-115772117-A 2-hydroxysuccinic acid compound and pharmaceutical composition and application thereof 中国药科大学 2023-03-10 CN disclosed
EP-3402799-B1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-05-04 EP disclosed
CN-111285859-B 2,4, 5-trisubstituted pyrimidine compounds with HIV-1 reverse transcriptase as target, and preparation method and application thereof 山东大学 2021-07-02 CN disclosed
US-10759816-B2 Heterocyclic compounds as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-09-01 US disclosed
CN-111285859-A 2,4, 5-trisubstituted pyrimidine compounds with HIV-1 reverse transcriptase as target, and preparation method and application thereof 山东大学 2020-06-16 CN disclosed
CN-111205310-A Heterocyclic fused pyrimidine derivative, and pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2020-05-29 CN 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
WO-2013067302-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2013-05-10 WO disclosed
WO-2013039988-A1 AZAINDAZOLES GLAX0SMITHKLINE LLC (US) 2013-03-21 WO disclosed
EP-2566479-A1 AZAINDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130059849-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC 2013-03-07 US disclosed
WO-2012089633-A9 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2012-08-23 WO disclosed
US-20120208804-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BASED ON THE 1,3 -OXAZINAN- 2 -ONE STRUCTURE VITAE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
WO-2012089633-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2012-07-05 WO disclosed
EP-2440537-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BASED ON THE 1,3 -OXAZINAN- 2 -ONE STRUCTURE Vitae Pharmaceuticals, Inc. (US) 2012-04-18 EP disclosed
WO-2012005805-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2012-01-12 WO disclosed
WO-2011011123-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BASED ON THE 1,3 -OXAZINAN- 2 -ONE STRUCTURE VITAE PHARMACEUTICALS, INC. (US) 2011-01-27 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-20190040084-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS SIRT1, FURIN, SIRT5 LOX 3146/4885LOXL2 4297/4885ACVR2A 2858/4885
US-20130059849-A1 AZAINDAZOLES AZI2, MKI67, DNMT1 LOX 3516/4885LOXL2 3072/4885ACVR2A 2503/4885
US-20120208804-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BASED ON THE 1,3 -OXAZINAN- 2 -ONE STRUCTURE HSD11B1, HSD11B2, HSD17B1 LOX 3314/4885LOXL2 3839/4885ACVR2A 2027/4885
US-10759816-B2 Heterocyclic compounds as RSV inhibitors SIRT1, FURIN, SIRT5 LOX 3146/4885LOXL2 4297/4885ACVR2A 2858/4885

“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.