SCHEMBL3586790

SCHEMBL3586790

CCOP(=O)(OCC)C(OC)c1ccc(Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MEN1 O00255 2/20 0.51
GAA P10253 3/20 0.48
LMNA P02545 4/20 0.47
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
PTGS2 P35354 2/20 0.35

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
SCHEMBL9379226 0.87 KMT2A (0.51) KMT2ANPSR1MEN1GAALMNA
SCHEMBL7027649 0.83 CA12 (0.49) GAACA12CA1CA2CA9
SCHEMBL5213994 0.83 POLB (0.42) KMT2ANPSR1MEN1GAALMNA
SCHEMBL16800062 0.83 POLB (0.62) KMT2ANPSR1MEN1LMNAPOLB
SCHEMBL8582885 0.81 CA12 (0.51) KMT2ANPSR1MEN1GAALMNA
SCHEMBL5754677 0.81 KMT2A (0.55) KMT2ANPSR1MEN1GAALMNA
SCHEMBL4262591 0.81 KMT2A (0.55) KMT2ANPSR1MEN1GAALMNA
SCHEMBL1530570 0.80 L3MBTL1 (0.56) KMT2ANPSR1MEN1GAALMNA
SCHEMBL4802893 0.79 L3MBTL1 (0.48) KMT2ANPSR1MEN1GAALMNA
SCHEMBL24658682 0.78 KMT2A (0.52) KMT2ANPSR1MEN1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772291-B2 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
EP-1893212-B1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2013-10-16 EP disclosed
US-20100081691-A1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2010-04-01 US disclosed
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA LEXICON PHARMACEUTICALS, INC. 2009-12-10 US disclosed
EP-2089018-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA Lexicon Pharmaceuticals, Inc. (US) 2009-08-19 EP disclosed
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. LEXICON PHARMACEUTICALS, INC. 2008-06-26 US disclosed
WO-2008067121-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 WO disclosed
EP-1893212-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-03-05 EP disclosed
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed
WO-2006124748-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed
US-20060258691-A1 Methods and compositions for improving cognition LEXICON PHARMACEUTICALS, INC. 2006-11-16 US disclosed
US-20060258672-A1 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. 2006-11-16 US 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-20100081691-A1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE GRIN2C, CHAT, COMT KMT2A 1789/4885NPSR1 226/4885MEN1 1568/4885
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. CHAT, PSEN2, PSEN1 KMT2A 651/4885NPSR1 744/4885MEN1 2823/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A KMT2A 464/4885NPSR1 168/4885MEN1 4522/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP KMT2A 426/4885NPSR1 2078/4885MEN1 1620/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT KMT2A 1789/4885NPSR1 226/4885MEN1 1568/4885

“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.