SCHEMBL693600

SCHEMBL693600

C=CCOCCCC(NC(=O)OC1CCCC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
EPHX1 P07099 2/20 0.38
CASP1 P29466 1/20 0.36
ITGAV P06756 3/20 0.35
ITGB3 P05106 1/20 0.35
TGM2 P21980 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
CPB2 Q96IY4 4/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ITGB6 P18564 2/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
EPHX2 P34913 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
SCHEMBL4257792 0.85 HDAC4 (0.49) HDAC4HDAC1EPHX1CASP1ITGAV
SCHEMBL4257798 0.85 HDAC4 (0.49) HDAC4HDAC1EPHX1CASP1ITGAV
SCHEMBL1445009 0.84 HDAC4 (0.51) HDAC4HDAC1EPHX1CASP1ITGAV
SCHEMBL2812234 0.84 HDAC4 (0.51) HDAC4HDAC1EPHX1CASP1ITGAV
SCHEMBL8233643 0.80 EPHX1 (0.45) HDAC4HDAC1EPHX1CASP1ITGAV
SCHEMBL22777304 0.79 EPHX1 (0.51) HDAC4HDAC1EPHX1ITGAVITGB3
SCHEMBL5740541 0.78 HDAC4 (0.54) HDAC4HDAC1EPHX1CASP1ITGAV
SCHEMBL28263995 0.78 HDAC4 (0.52) HDAC4HDAC1EPHX1CPB2
SCHEMBL454654 0.78 HDAC4 (0.52) HDAC4HDAC1EPHX1CPB2
SCHEMBL1645916 0.77 SMN1; SMN2 (0.45) HDAC4HDAC1ITGAVITGB3SMN1; SMN2

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-8674088-B2 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
US-8586744-B2 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2013-11-19 US disclosed
EP-2043658-B1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES INC (US) 2012-04-25 EP disclosed
EP-2422791-A1 Antiviral phosphinate compounds Gilead Sciences, Inc. (US) 2012-02-29 EP disclosed
US-20110081314-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-04-07 US disclosed
US-20110082112-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-04-07 US disclosed
US-7893264-B2 viricides comprising phosphinic acid compounds and/or mixed with carriers, nucleoside analogues, interferons or pegylated interferons; treating hepatitis C or a hepatitis C associated disorders in animals; side effect reduction GILEAD SCIENCES, INC. (US) 2011-02-22 US disclosed
US-20090227491-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-09-10 US disclosed
EP-2043658-A2 ANTIVIRAL PHOSPHINATE COMPOUNDS Gilead Sciences, Inc. (US) 2009-04-08 EP disclosed
WO-2008005565-A9 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES INC (US) 2009-01-29 WO disclosed
US-20080057031-A1 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2008-03-06 US disclosed
WO-2008005565-A2 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-01-10 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-20080057031-A1 Antiviral phosphinate compounds PHOSPHO1, MAVS, ITPA HDAC4 1551/4885HDAC1 1846/4885EPHX1 3290/4885
US-20090227491-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS PHOSPHO1, MAVS, ITPA HDAC4 1551/4885HDAC1 1846/4885EPHX1 3290/4885
US-20110081314-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS PHOSPHO1, MAVS, ITPA HDAC4 1551/4885HDAC1 1846/4885EPHX1 3290/4885
US-20110082112-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS HAVCR2, PHOSPHO1, EIF2AK2 HDAC4 1505/4885HDAC1 1535/4885EPHX1 3170/4885

“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.