SCHEMBL2213006

SCHEMBL2213006

COC(=O)C=Cc1cccc(B(O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.54
ENPP2 Q13822 2/20 0.54
APP P05067 1/20 0.54
PTPN1 P18031 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
TYR P14679 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
EPHX2 P34913 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
JAK2 O60674 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL2213002 1.00 TTR (0.54) TTRENPP2APPPTPN1CA12
SCHEMBL29445626 1.00 TTR (0.54) TTRENPP2APPPTPN1CA12
SCHEMBL69618 0.85 TTR (0.66) TTRAPPPTPN1CA12CA1
SCHEMBL2561485 0.84 TTR (0.57) TTRENPP2CA12CA1CA2
SCHEMBL2561487 0.84 TTR (0.57) TTRENPP2CA12CA1CA2
SCHEMBL15985448 0.82 GLA (0.56) TTRENPP2APPFDPSTRPV1
SCHEMBL30098502 0.81 KMT2A (0.58) TTRAPPPTPN1CA12CA1
SCHEMBL7660046 0.81 KMT2A (0.58) TTRAPPPTPN1CA12CA1
Ethane SCHEMBL3344169 0.81 NPSR1 (0.56) TTRENPP2APPPTPN1CA12
SCHEMBL1431912 0.81 KMT2A (0.58) TTRAPPPTPN1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114105976-A Selective ROCK2 kinase inhibitors 杭州邦顺制药有限公司 2022-03-01 CN disclosed
EP-3151833-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS Thomas Helledays Stiftelse För Medicinsk Forskning (SE) 2017-04-12 EP disclosed
WO-2015187089-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2015-12-10 WO disclosed
EP-2925744-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER Thomas Helledays Stiftelse För Medicinsk Forskning (SE) 2015-10-07 EP disclosed
WO-2014084778-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2014-06-05 WO disclosed
US-8318723-B2 Pyrazine compounds, their use and methods of preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-27 US disclosed
EP-2061762-B1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INT (DE) 2011-07-27 EP disclosed
US-20100210627-A1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 US disclosed
EP-2061762-A2 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION Boehringer Ingelheim International GmbH (DE) 2009-05-27 EP disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
WO-2008022164-A2 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 WO disclosed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 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-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 TTR 3647/4885ENPP2 1282/4885APP 4422/4885
US-20100210627-A1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION CDK2, PIM1, CCNK TTR 2331/4885ENPP2 1404/4885APP 1018/4885

“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.