SCHEMBL3360269

SCHEMBL3360269

CC(C)C(NCCCO)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
PLA2G2A P14555 1/20 0.39
PLA2G5 P39877 1/20 0.39
PTGS1 P23219 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 2/20 0.33
EPHX2 P34913 2/20 0.33
ADAMTS4 O75173 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL30001304 1.00 SMN1; SMN2 (0.43) SMN1; SMN2PLA2G2APLA2G5PTGS1KCNH2
SCHEMBL3294010 0.87 SMN1; SMN2 (0.42) SMN1; SMN2PLA2G2APLA2G5ALDH1A1HSD17B10
SCHEMBL3294007 0.87 SMN1; SMN2 (0.42) SMN1; SMN2PLA2G2APLA2G5ALDH1A1HSD17B10
SCHEMBL4622349 0.84 SMN1; SMN2 (0.46) SMN1; SMN2PLA2G2APLA2G5ALDH1A1HSD17B10
SCHEMBL11582357 0.83 SMN1; SMN2 (0.56) SMN1; SMN2PLA2G2APLA2G5HSD17B10TP53
SCHEMBL11582359 0.83 SMN1; SMN2 (0.56) SMN1; SMN2PLA2G2APLA2G5HSD17B10TP53
SCHEMBL1818420 0.82 SMN1; SMN2 (0.64) SMN1; SMN2PLA2G2APLA2G5TP53GAA
SCHEMBL7209148 0.82 SMN1; SMN2 (0.42) SMN1; SMN2PLA2G2APLA2G5EPHX2NPSR1
SCHEMBL29254324 0.82 SMN1; SMN2 (0.42) SMN1; SMN2PLA2G2APLA2G5ALDH1A1HSD17B10
SCHEMBL27698867 0.82 SMN1; SMN2 (0.42) SMN1; SMN2PLA2G2APLA2G5EPHX2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
EP-1711617-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-10-18 EP disclosed
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 WO disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 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 (3 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-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP SMN1; SMN2 3374/4885PLA2G2A 2697/4885PLA2G5 3368/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS SMN1; SMN2 4578/4885PLA2G2A 2003/4885PLA2G5 998/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 SMN1; SMN2 3324/4885PLA2G2A 2725/4885PLA2G5 2955/4885

“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.