SCHEMBL12369692

SCHEMBL12369692

NCC1(O)OC(CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PYGB P11216 8/20 0.36
PYGL P06737 3/20 0.35
PYGM P11217 2/20 0.35
GBA1 P04062 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31

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
SCHEMBL12459389 1.00 MEN1 (0.38) MEN1KMT2APYGBPYGLPYGM
SCHEMBL16885871 1.00 MEN1 (0.38) MEN1KMT2APYGBPYGLPYGM
SCHEMBL15959424 0.83 MEN1 (0.51) MEN1KMT2APYGBPYGLPYGM
SCHEMBL4969695 0.83 MEN1 (0.51) MEN1KMT2APYGBPYGLPYGM
SCHEMBL11454071 0.83 MEN1 (0.51) MEN1KMT2APYGBPYGLPYGM
SCHEMBL8523079 0.83 MEN1 (0.51) MEN1KMT2APYGBPYGLPYGM
SCHEMBL4604138 0.83 MEN1 (0.51) MEN1KMT2APYGBPYGLPYGM
SCHEMBL15265730 0.83 MEN1 (0.51) MEN1KMT2APYGBPYGLPYGM
SCHEMBL15264856 0.83 MEN1 (0.51) MEN1KMT2APYGBPYGLPYGM
SCHEMBL16547556 0.83 MEN1 (0.51) MEN1KMT2APYGBPYGLPYGM

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
EP-2318380-B1 METHODS OF PREPARING IMIDAZOLE-BASED BICYCLIC COMPOUNDS LEXICON PHARMACEUTICALS INC (US) 2016-08-24 EP disclosed
EP-2315765-B1 SOLID FORMS OF (1R,2S,3R)-1-(2-(ISOXAZOL-3-YL)-1H-IMIDAZOL-4-YL)BUTANE-1,2,3,4-TETRAOL AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2012-12-19 EP disclosed
US-7998994-B2 Solid forms of (1R,2S,3R)-1-(2-(isoxazol-3-yl)-1H-imidazol-4-yl)butane-1,2,3,4-tetraol and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2011-08-16 US disclosed
US-7998994-B2 Solid forms of (1R,2S,3R)-1-(2-(isoxazol-3-yl)-1H-imidazol-4-yl)butane-1,2,3,4-tetraol and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2011-08-16 US disclosed
US-7968726-B2 Methods of preparing imidazole-based bicyclic compounds LEXICON PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
US-7968726-B2 Methods of preparing imidazole-based bicyclic compounds LEXICON PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
WO-2010008734-A2 Methods of Preparing Imidazole-Based Bicyclic Compounds LEXICON PHARMACEUTICALS, INC. (US) 2010-01-21 WO disclosed
WO-2010008733-A2 SOLID FORMS OF (1R,2S,3R)-1-(2-(ISOXAZOL-3-YL)-1H-IMIDAZOL-4-YL)BUTANE-1,2,3,4-TETRAOL AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2010-01-21 WO disclosed
US-20090318705-A1 METHODS OF PREPARING IMIDAZOLE-BASED BICYCLIC COMPOUNDS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2009-12-24 US disclosed
US-20090318705-A1 METHODS OF PREPARING IMIDAZOLE-BASED BICYCLIC COMPOUNDS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2009-12-24 US disclosed
US-20090318516-A1 SOLID FORMS OF (1R,2S,3R)-1-(2-(ISOXAZOL-3-YL)-1H-IMIDAZOL-4-YL)BUTANE-1,2,3,4-TETRAOL AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2009-12-24 US disclosed
US-20090318516-A1 SOLID FORMS OF (1R,2S,3R)-1-(2-(ISOXAZOL-3-YL)-1H-IMIDAZOL-4-YL)BUTANE-1,2,3,4-TETRAOL AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2009-12-24 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 (2 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-20090318705-A1 METHODS OF PREPARING IMIDAZOLE-BASED BICYCLIC COMPOUNDS PAICS, TOP2B, CCNI MEN1 252/4885KMT2A 2913/4885PYGB 1928/4885
US-20090318516-A1 SOLID FORMS OF (1R,2S,3R)-1-(2-(ISOXAZOL-3-YL)-1H-IMIDAZOL-4-YL)BUTANE-1,2,3,4-TETRAOL AND METHODS OF THEIR USE TUBAL3, TUBA3C, TUBB3 MEN1 2823/4885KMT2A 3346/4885PYGB 1970/4885

“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.