SCHEMBL5720514

SCHEMBL5720514

C=CCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
AKT1 P31749 2/20 0.65
LMNA P02545 2/20 0.65
PRKD3 O94806 1/20 0.65
PRKCG P05129 1/20 0.65
PRKCB P05771 1/20 0.65
PRKCA P17252 1/20 0.65
PRKCH P24723 1/20 0.65
PRKCI P41743 1/20 0.65
PRKCE Q02156 1/20 0.65
PRKCQ Q04759 1/20 0.65
PRKCZ Q05513 1/20 0.65
PRKCD Q05655 1/20 0.65
PRKD1 Q15139 1/20 0.65
ALDH1A1 P00352 1/20 0.65
MAPK1 P28482 1/20 0.65
MEN1 O00255 1/20 0.65
GMNN O75496 1/20 0.65
BLM P54132 1/20 0.65
KMT2A Q03164 1/20 0.65

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
SCHEMBL8874191 0.91 MAPK1 (0.54) SMN1; SMN2AKT1LMNAPRKD3PRKCG
SCHEMBL878627 0.90 SMN1; SMN2 (0.53) SMN1; SMN2AKT1LMNAPRKD3PRKCG
SCHEMBL243890 0.87 ADRA1D (0.69) SMN1; SMN2AKT1LMNAPRKD3PRKCG
SCHEMBL1127893 0.87 ADRA1D (0.69) SMN1; SMN2AKT1LMNAPRKD3PRKCG
SCHEMBL4371353 0.86 LMNA (0.64) SMN1; SMN2AKT1LMNAPRKD3PRKCG
SCHEMBL2525610 0.86 LMNA (0.64) SMN1; SMN2AKT1LMNAPRKD3PRKCG
SCHEMBL10645725 0.86 LMNA (0.64) SMN1; SMN2AKT1LMNAPRKD3PRKCG
SCHEMBL4804148 0.84 SMN1; SMN2 (0.64) SMN1; SMN2AKT1LMNAPRKD3PRKCG
SCHEMBL2522867 0.83 SMN1; SMN2 (0.52) SMN1; SMN2AKT1LMNAPRKD3PRKCG
SCHEMBL1856364 0.82 LMNA (0.51) SMN1; SMN2AKT1LMNAPRKD3PRKCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841910-A4 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2006-09-13 EP disclosed
US-6451785-B1 SUBSTITUTED 3-(TRIPHENYLMETHYLAMINO)AZETIDIN-2-ONE; COA-INDEPENDENT TRANSACYLASE (COA-IT) INHIBITOR; COADMINISTERED WITH EDELFOSINE (ET-18-OCH3) OR OTHER ALKYL-LYSOPHOSPHOLIPID ANALOG SMITHKLINE BEECHAM CORPORATION 2002-09-17 US disclosed
US-20020082250-A1 BETA LACTAMS AS ANTIPROLIFERATIVE AGENTS WAKE FOREST UNIVERSITY HEALTH SCIENCES 2002-06-27 US disclosed
EP-0982991-A1 BETA LACTAMS AS ANTIPROLIFERATIVE AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP disclosed
WO-1998049897-A1 BETA LACTAMS AS ANTIPROLIFERATIVE AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO disclosed
EP-0841910-A1 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1998-05-20 EP disclosed
WO-1997004765-A1 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-13 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 (1 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-20020082250-A1 BETA LACTAMS AS ANTIPROLIFERATIVE AGENTS COASY, LYPLA1, ACAT1 SMN1; SMN2 1848/4885AKT1 228/4885LMNA 1542/4885

“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.