SCHEMBL257916

SCHEMBL257916

Cc1ccc(Oc2ccc(B(O)O)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.73
LPL P06858 2/20 0.73
LIPG Q9Y5X9 2/20 0.73
CA1 P00915 3/20 0.65
ENPP2 Q13822 3/20 0.58
ORAI1 Q96D31 1/20 0.52
ORAI2 Q96SN7 1/20 0.52
ORAI3 Q9BRQ5 1/20 0.52
TRPV6 Q9H1D0 1/20 0.52
TEAD4 Q15561 1/20 0.52
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MMP13 P45452 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ACHE P22303 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6001606 0.88 CA2 (0.81) CA2LPLLIPGCA1ENPP2
Tolyl Boronic Acid SCHEMBL129197 0.85 CA2 (1.00) CA2LPLLIPGCA1ENPP2
Tolyl Boronic Acid SCHEMBL5600068 0.85 CA2 (1.00) CA2LPLLIPGCA1ENPP2
SCHEMBL12270603 0.84 CA2 (0.50) CA2LPLLIPGCA1ENPP2
Tolyl Boronic Acid SCHEMBL8889893 0.83 CA2 (0.94) CA2LPLLIPGCA1ENPP2
Tolyl Boronic Acid SCHEMBL19268206 0.83 CA2 (0.94) CA2LPLLIPGCA1ENPP2
Tolyl Boronic Acid SCHEMBL1992708 0.83 CA2 (0.94) CA2LPLLIPGCA1ENPP2
SCHEMBL5836185 0.82 CA2 (0.86) CA2LPLLIPGCA1ENPP2
SCHEMBL257603 0.81 CA2 (0.63) CA2LPLLIPGCA1ENPP2
SCHEMBL21234530 0.81 ENPP2 (0.59) CA2LPLLIPGCA1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230248833-A1 COMPOUND HAVING BTK KINASE DEGRADING ACTIVITY, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREFOR XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-10 US disclosed
EP-4056562-A1 HETEROCYCLIC INHIBITORS OF BRUTON'S TYROSINE KINASE Merck Patent GmbH (DE) 2022-09-14 EP disclosed
US-20220213092-A1 BICYCLIC PYRAZOLE BRUTON'S TYROSINE KINASE INHIBITORS ABBVIE INC (US) 2022-07-07 US disclosed
WO-2022132997-A1 BICYCLIC PYRAZOLE BRUTON'S TYROSINE KINASE INHIBITORS ABBVIE INC. (US) 2022-06-23 WO disclosed
EP-2718270-B1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2022-04-27 EP disclosed
US-10413562-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2019-09-17 US disclosed
US-20180243324-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2018-08-30 US disclosed
US-10016448-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2018-07-10 US disclosed
US-20170136048-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2017-05-18 US disclosed
US-9580449-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2017-02-28 US disclosed
US-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE ADAMS JULIAN 2011-09-22 US disclosed
US-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE ADAMS JULIAN 2011-09-22 US disclosed
US-20110224171-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. 2011-09-15 US disclosed
US-20110224171-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. 2011-09-15 US disclosed
EP-2073816-B1 BORONIC ACIDS AND ESTERS AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS INC (US) 2011-09-14 EP disclosed
US-7947663-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-7947663-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. (US) 2009-04-16 US disclosed
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. (US) 2009-04-16 US disclosed
WO-2008063300-A2 BORONIC ACIDS AND ESTERS AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2008-05-29 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 (9 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-20110224171-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 CA2 1331/4885LPL 180/4885LIPG 272/4885
US-20220213092-A1 BICYCLIC PYRAZOLE BRUTON'S TYROSINE KINASE INHIBITORS BTK, LYN, ABL1 CA2 4115/4885LPL 2660/4885LIPG 2651/4885
US-10016448-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity BTK, SYK, LCK CA2 1544/4885LPL 3798/4885LIPG 3678/4885
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 CA2 1331/4885LPL 180/4885LIPG 272/4885
US-20180243324-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY BTK, SYK, LCK CA2 1544/4885LPL 3798/4885LIPG 3678/4885
US-10413562-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity BTK, SYK, LCK CA2 1544/4885LPL 3798/4885LIPG 3678/4885
US-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 CA2 1331/4885LPL 180/4885LIPG 272/4885
US-20170136048-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY BTK, SYK, LCK CA2 1544/4885LPL 3798/4885LIPG 3678/4885
US-20230248833-A1 COMPOUND HAVING BTK KINASE DEGRADING ACTIVITY, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREFOR BTK, WEE1, WEE2 CA2 3036/4885LPL 759/4885LIPG 857/4885

“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.