SCHEMBL2561485

SCHEMBL2561485

CCOC(=O)/C=C/c1cccc(B(O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.57
DPP4 P27487 1/20 0.57
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
MAOB P27338 1/20 0.52
CYP3A4 P08684 1/20 0.51
FDPS P14324 1/20 0.50
ENPP2 Q13822 1/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48

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
SCHEMBL2561487 1.00 TTR (0.57) TTRDPP4CA12CA1CA2
SCHEMBL4427604 0.86 TTR (0.69) TTRDPP4CA12CA1CA2
SCHEMBL4427602 0.86 TTR (0.69) TTRDPP4CA12CA1CA2
SCHEMBL29445626 0.84 TTR (0.54) TTRCA12CA1CA2CA7
SCHEMBL2213002 0.84 TTR (0.54) TTRCA12CA1CA2CA7
SCHEMBL2213006 0.84 TTR (0.54) TTRCA12CA1CA2CA7
SCHEMBL767759 0.83 CA12 (0.71) TTRDPP4CA12CA1CA2
SCHEMBL767758 0.83 CA12 (0.71) TTRDPP4CA12CA1CA2
SCHEMBL24876 0.82 MEN1 (0.65) TTRDPP4CA12CA1CA2
SCHEMBL24877 0.82 MEN1 (0.65) TTRDPP4CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114105976-B Selective ROCK2 kinase inhibitors 杭州邦顺制药有限公司 2024-04-26 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2022042666-A1 SELECTIVE ROCK2 KINASE INHIBITOR 杭州邦顺制药有限公司 2022-03-03 WO disclosed
CN-114105976-A Selective ROCK2 kinase inhibitors 杭州邦顺制药有限公司 2022-03-01 CN disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
CN-105579438-B Compounds and methods for skin repair 阿勒根公司 2019-12-06 CN disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-9546162-B2 Compounds and methods for skin repair ALLERGAN, INC. (US) 2017-01-17 US disclosed
EP-3049392-A1 COMPOUNDS AND METHODS FOR SKIN REPAIR ALLERGAN, INC. (US) 2016-08-03 EP disclosed
WO-2015048553-A1 COMPOUNDS AND METHODS FOR SKIN REPAIR ALLERGAN, INC. (US) 2015-04-02 WO disclosed
US-20150094330-A1 COMPOUNDS AND METHODS FOR SKIN REPAIR ALLERGAN INC (US) 2015-04-02 US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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 (2 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD TTR 2118/4885DPP4 994/4885CA12 1716/4885
US-20150094330-A1 COMPOUNDS AND METHODS FOR SKIN REPAIR PTGER4, LTB4R2, LTB4R TTR 4777/4885DPP4 457/4885CA12 4599/4885

“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.