SCHEMBL2006239

SCHEMBL2006239

CC(C)(C)OC(=O)n1ccc2cc(Cl)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 2/20 0.50
PIK3CD O00329 2/20 0.46
ABL1 P00519 2/20 0.46
EGFR P00533 2/20 0.46
HCK P08631 2/20 0.46
SRC P12931 2/20 0.46
KDR P35968 2/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
MTOR P42345 2/20 0.46
PIK3CG P48736 2/20 0.46
EPHB4 P54760 2/20 0.46
PRKDC P78527 2/20 0.46
PI4KB Q9UBF8 2/20 0.46
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BUB1 O43683 1/20 0.39
HTR2A P28223 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
SCHEMBL29829168 1.00 OXER1 (0.50) OXER1PIK3CDABL1EGFRHCK
SCHEMBL4387826 0.88 OXER1 (0.50) OXER1PIK3CDABL1EGFRHCK
SCHEMBL3269495 0.84 PIK3CD (0.47) PIK3CDABL1EGFRHCKSRC
SCHEMBL1273077 0.84 HTR6 (0.49) PIK3CDABL1EGFRHCKSRC
SCHEMBL20096773 0.84 HSP90AA1 (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL18805035 0.82 PIK3CD (0.46) PIK3CDABL1EGFRHCKSRC
Methane SCHEMBL6390810 0.82 HTR6 (0.48) PIK3CDABL1EGFRHCKSRC
SCHEMBL819797 0.82 PIK3CD (0.46) PIK3CDABL1EGFRHCKSRC
SCHEMBL1454498 0.82 PIK3CD (0.46) PIK3CDABL1EGFRHCKSRC
SCHEMBL312329 0.82 PIK3CD (0.51) PIK3CDABL1EGFRHCKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753611-B1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
EP-2753611-B1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
US-20150246902-A1 SUBSTITUED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-20150246902-A1 SUBSTITUED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-20150246902-A1 SUBSTITUED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
WO-2013034048-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
WO-2013034048-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
CN-1256324-C Pyrrolidine derivatives as factor Xa inhibitors GLAXO GROUP LTD (GB) 2006-05-17 CN disclosed
US-20050107379-A1 Pyrrolidine derivatives as factor xa inhibitors GLAXO GROUP LIMITED (GB) 2005-05-19 US disclosed
EP-1395553-B1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LTD (GB) 2005-02-16 EP disclosed
CN-1538955-A Pyrrolidine derivatives as factor Xa inhibitors 2004-10-20 CN disclosed
US-20040152697-A1 Pyrrolidin-2-one derivatives as inhibitors of factor xa GLAXO GROUP LIMITED (GB) 2004-08-05 US disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
EP-1395606-A1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF FACTOR XA GLAXO GROUP LIMITED (GB) 2004-03-10 EP disclosed
WO-2002100886-A1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF FACTOR XA GLAXO GROUP LIMITED (GB) 2002-12-19 WO disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 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 (4 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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 OXER1 128/4885PIK3CD 1681/4885ABL1 2833/4885
US-20150246902-A1 SUBSTITUED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES EIF5B, EIF2AK2, HCCS OXER1 3253/4885PIK3CD 4414/4885ABL1 549/4885
US-20050107379-A1 Pyrrolidine derivatives as factor xa inhibitors TFPI, F2, SERPINC1 OXER1 3235/4885PIK3CD 1901/4885ABL1 3388/4885
US-20040152697-A1 Pyrrolidin-2-one derivatives as inhibitors of factor xa TFPI, SERPINC1, TFPI2 OXER1 2270/4885PIK3CD 1417/4885ABL1 2929/4885

“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.