SCHEMBL4491246

SCHEMBL4491246

CC1(C)COB(c2ccccc2C#N)OC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
AR P10275 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
HTR7 P34969 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL31048086 1.00 TSHR (0.37) TSHRARPDE4APDE4BPDE4C
SCHEMBL2648450 0.84 BACE1 (0.32) TSHRAR
SCHEMBL31448668 0.84 TSHR (0.35) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL21083818 0.81 CYP11B1 (0.38) ARKDM4EALDH1A1HTT
SCHEMBL29593052 0.80 TSHR (0.39) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL7164061 0.80 TSHR (0.39) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL12299446 0.80 POLB (0.32) ARPDE4APDE4BPDE4CPDE4D
SCHEMBL2187689 0.80 LATS1 (0.35) HTT
SCHEMBL2659671 0.80 CA1 (0.34) PDE4APDE4BPDE4CPDE4D
SCHEMBL21635295 0.80 AR (0.32) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037905-B2 Pharmaceutical use of boronic acids and esters thereof NOVO NORDISK A/S (DK) 2006-05-02 US claimed
US-20040053889-A1 Pharmaceutical use of boronic acids and esters thereof NOVO NORDISK A/S (DK) 2004-03-18 US claimed
WO-2003105860-A1 PHARMACEUTICAL USE OF BORONIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 2003-12-24 WO claimed
US-6559310-B2 Reacting a halogen aromatic derivative at a coupling position with a diboron derivative in the presence of a Group VIII metal catalyst and a suitable base for covalently coupling organic compounds COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2003-05-06 US claimed
US-20020193604-A1 Aryl borates COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2002-12-19 US claimed
EP-0986541-A4 PROCESS FOR COVALENTLY COUPLING ORGANIC COMPOUNDS UTILIZING DIBORON DERIVATIVES COMMW SCIENT IND RES ORG (AU) 2002-08-14 EP claimed
US-20020032339-A1 ARYL BORATES BORON MOLECULAR LIMITED (AU) 2002-03-14 US claimed
EP-0986541-A1 PROCESS FOR COVALENTLY COUPLING ORGANIC COMPOUNDS UTILIZING DIBORON DERIVATIVES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-03-22 EP claimed
WO-1998045265-A1 PROCESS FOR COVALENTLY COUPLING ORGANIC COMPOUNDS UTILIZING DIBORON DERIVATIVES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1998-10-15 WO claimed
EP-4539855-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF Borah, Inc. (US) 2025-04-23 EP disclosed
US-12145927-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2024-11-19 US disclosed
EP-3035929-B1 7A-AMIDE SUBSTITUTED-6,6-DIFLUORO BICYCLIC HIMBACINE DERIVATIVES MERCK SHARP & DOHME LLC (US) 2024-07-03 EP disclosed
WO-2023244775-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF Boehringer Ingelheim Animal Health USA Inc. (US) 2023-12-21 WO disclosed
WO-2023283831-A1 VIRUS MAIN PROTEASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE 上海药明康德新药开发有限公司 2023-01-19 WO disclosed
US-20060189577-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2006-08-24 US disclosed
EP-1651599-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2006-05-03 EP disclosed
US-7037905-B2 Pharmaceutical use of boronic acids and esters thereof NOVO NORDISK A/S (DK) 2006-05-02 US disclosed
WO-2005009957-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2005-02-03 WO disclosed
US-20040053889-A1 Pharmaceutical use of boronic acids and esters thereof NOVO NORDISK A/S (DK) 2004-03-18 US disclosed
WO-2003105860-A1 PHARMACEUTICAL USE OF BORONIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 2003-12-24 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 (5 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-20060189577-A1 Tyrosine kinase inhibitors ABL1, RET, ERBB2 TSHR 456/4885AR 1244/4885PDE4A 1396/4885
US-20040053889-A1 Pharmaceutical use of boronic acids and esters thereof LIPE, CEL, LIPA TSHR 315/4885AR 1526/4885PDE4A 324/4885
US-20020193604-A1 Aryl borates BRD4, ABL1, BRD3 TSHR 2306/4885AR 1381/4885PDE4A 4174/4885
US-12145927-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT TSHR 3165/4885AR 2460/4885PDE4A 1607/4885
US-20020032339-A1 ARYL BORATES TBCB, HAT1, UBE2B TSHR 2491/4885AR 1296/4885PDE4A 4225/4885

“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.