SCHEMBL6522357

SCHEMBL6522357

COc1ccc(B(O)OF)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.61
CA2 P00918 4/20 0.61
ENPP2 Q13822 2/20 0.61
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
ACHE P22303 1/20 0.41
LTA4H P09960 1/20 0.40
ESR2 Q92731 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL13686655 0.82 CA1 (0.67) CA1CA2ENPP2CA7CA9
SCHEMBL16653533 0.82 CA1 (0.67) CA1CA2ENPP2CA7CA9
SCHEMBL480132 0.80 ENPP2 (0.67) CA1CA2ENPP2CA7CA9
SCHEMBL20595738 0.78 CA1 (0.61) CA1CA2ENPP2CA7CA9
SCHEMBL5665675 0.78 CA1 (0.61) CA1CA2ENPP2CA7CA9
SCHEMBL28050158 0.78 NQO1 (0.54) PRSS1PRSS2PRSS3LTA4HTDP1
SCHEMBL27965000 0.77 CA2 (0.54) CA1CA2ENPP2ACHECES2
SCHEMBL5710098 0.77 CA1 (0.73) CA1CA2ENPP2CA7CA9
SCHEMBL4673 0.77 CA2 (1.00) CA1CA2ENPP2CA7CA9
SCHEMBL184420 0.77 TRPV6 (0.50) CA1CA2ENPP2CA7CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105330642-A Selenophen compound INOR WUHAN PHARMACEUTICAL CO LTD 2016-02-17 CN claimed
CN-103864750-A Derivative of N-biphenyl dichloroacetamide as well as preparation method and applications thereof UNIV TSINGHUA 2014-06-18 CN claimed
CN-106573927-B Oxyclohepten-2-yl-pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use 豪夫迈·罗氏有限公司 2019-09-27 CN disclosed
CN-110248929-A Benzylamino pyrazinyl cyclopropane-carboxylic acid, its pharmaceutical composition and purposes 勃林格殷格翰国际有限公司 2019-09-17 CN disclosed
CN-105801550-B Novel chromene kinase modulator 理森制药股份公司 2019-06-14 CN disclosed
CN-109803660-A Treatment of relapsed and/or refractory solid tumors and non-hodgkin's lymphoma 细胞基因公司 2019-05-24 CN disclosed
CN-105272967-B Triazines epidermal growth factor receptor inhibitor and its application 南京圣和药业股份有限公司 2019-05-24 CN disclosed
CN-109790357-A Curable modified petroleum resin, preparation method and the usage 可隆工业株式会社 2019-05-21 CN disclosed
CN-109641996-A Curable petroleum resin, process for its preparation and its use 可隆工业株式会社 2019-04-16 CN disclosed
CN-109476599-A Guanidine derivatives and its medical usage 东丽株式会社 2019-03-15 CN disclosed
CN-106632004-B Pyridinone derivatives and the preparation method and application thereof 山东大学 2019-03-08 CN disclosed
CN-102448954-A Substituted quinazolines as fungicides SYNGENTA PARTICIPATIONS AG 2012-05-09 CN disclosed
WO-2011029802-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
US-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-03-10 US disclosed
CN-101094848-A Organic compounds NOVARTIS AG (CH) 2007-12-26 CN disclosed
CN-1279026-C Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LAB (US) 2006-10-11 CN disclosed
CN-1738788-A Substituted phenylnaphthalenes as estrogenic agents WYETH CORP (US) 2006-02-22 CN disclosed
CN-1167687-C Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors ���Ͽع����޹�˾ 2004-09-22 CN disclosed
CN-1342149-A Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LAB (US) 2002-03-27 CN disclosed
CN-1277605-A Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LAB (US) 2000-12-20 CN 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 (1 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-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM3, PIM2 CA1 4599/4885CA2 2380/4885ENPP2 1941/4885

“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.