SCHEMBL4084426

SCHEMBL4084426

CC(C)(C)C(Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
AAK1 Q2M2I8 1/20 0.45
F11 P03951 3/20 0.43
F2 P00734 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
LIPG Q9Y5X9 6/20 0.43
LPL P06858 5/20 0.43
P4HB P07237 1/20 0.41
HIF1A Q16665 3/20 0.39
DGAT1 O75907 1/20 0.39
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 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
SCHEMBL4106141 0.85 LIPG (0.39) CA1CA2CA9AAK1F11
SCHEMBL25439441 0.82 AAK1 (0.47) CA1CA2CA9AAK1F11
SCHEMBL31188697 0.81 CYP1A2 (0.51) CA1CA2CA9AAK1F11
SCHEMBL3399990 0.80 UCHL1 (0.35) CA1CA2CA9AAK1HIF1A
SCHEMBL4816734 0.78 SMN1; SMN2 (0.51) CA1CA2CA9AAK1F11
SCHEMBL257880 0.77 LIPG (0.49) CA1CA2CA9AAK1F11
SCHEMBL5727852 0.75 PPARA (0.53) CA1CA2CA9AAK1F11
SCHEMBL28895528 0.75 CA1 (0.44) CA1CA2CA9AAK1F11
SCHEMBL14168092 0.74 CA1 (0.52) CA1CA2CA9AAK1F11
SCHEMBL21164676 0.74 AAK1 (0.49) CA1CA2CA9AAK1F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964635-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-9206177-B2 Substituted dimeric quinazoline-2,4-diones as FGF receptor agonists SANOFI (FR) 2015-12-08 US disclosed
US-9120819-B2 FGF-receptor agonist dimeric compounds SANOFI (FR) 2015-09-01 US disclosed
US-20140378483-A1 FGF Receptor (FGFR) Agonist Dimeric Compounds, Process for the Preparation Thereof and Therapeutic Use Thereof SANOFI (FR) 2014-12-25 US disclosed
WO-2014135495-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
US-20090318472-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-24 US disclosed
US-7598251-B2 Aminopyrazine derivatives and compositions SMITHKLINE BEECHAM CORPORATION (US) 2009-10-06 US disclosed
US-20090069368-A1 FGF-RECEPTOR AGONIST DIMERIC COMPOUNDS SANOFI-AVENTIS (FR) 2009-03-12 US disclosed
US-20090062307-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-05 US disclosed
US-7459454-B2 Aminopyrazine derivatives and compositions SMITHKLINE BEECHAM CORPORATION (US) 2008-12-02 US disclosed
EP-1606266-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-06-25 EP disclosed
US-20060084651-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-04-20 US disclosed
EP-1606266-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-12-21 EP disclosed
WO-2004084813-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-10-07 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-20090062307-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS STK25, ABL1, STK35 CA1 3834/4885CA2 1477/4885CA9 4617/4885
US-20090069368-A1 FGF-RECEPTOR AGONIST DIMERIC COMPOUNDS FGF2, FGFR1, FGF1 CA1 1793/4885CA2 1617/4885CA9 2775/4885
US-20140378483-A1 FGF Receptor (FGFR) Agonist Dimeric Compounds, Process for the Preparation Thereof and Therapeutic Use Thereof FGFR1, FGFR2, FGF2 CA1 4180/4885CA2 2576/4885CA9 3926/4885
US-20060084651-A1 Chemical compounds STK25, MAP3K5, STK35 CA1 1806/4885CA2 643/4885CA9 2205/4885
US-20090318472-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS STK25, ABL1, STK35 CA1 3834/4885CA2 1477/4885CA9 4617/4885

“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.