SCHEMBL2353271

SCHEMBL2353271

COC(=O)C(CP(=O)(O)CCCCc1ccccc1)c1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
BACE1 P56817 4/20 0.40
MMP3 P08254 4/20 0.40
PPARG P37231 1/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
KMT2A Q03164 1/20 0.39
GLS O94925 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
MGLL Q99685 1/20 0.38
IDO1 P14902 1/20 0.37
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL6130871 0.84 MMP3 (0.41) LMNAMMP3PPARGNPC1RECQL
SCHEMBL2349886 0.82 LMNA (0.37) LMNABACE1MMP3AURKARPS6KB1
SCHEMBL2350428 0.76 LMNA (0.43) LMNAMMP3NPC1RAB9AKMT2A
SCHEMBL31724223 0.74 PRMT5 (0.45) PPARGRAB9AAURKARPS6KB1HDAC4
SCHEMBL2349880 0.74 ITGB1 (0.38) BACE1MMP3PPARG
SCHEMBL2350331 0.74 KDM4E (0.39) LMNARAB9A
SCHEMBL14445148 0.73 HDAC1 (0.43) BACE1PPARGAURKARPS6KB1HDAC4
SCHEMBL2353820 0.73 MAPT (0.40) LMNANPC1SMN1; SMN2HDAC4HDAC1
SCHEMBL23752186 0.72 LMNA (0.44) LMNAMMP3NPC1RAB9ASMN1; SMN2
SCHEMBL2355128 0.72 LMNA (0.44) LMNAMMP3NPC1RAB9ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319366-A1 Plasma Carboxypeptidase B Inhibitors BUCKMAN BRAD (US) 2011-12-29 US disclosed
US-8008325-B2 Plasma carboxypeptidase B inhibitors BAYER SCHERING PHARMA AG (DE) 2011-08-30 US disclosed
EP-2204373-A1 Phosphonic acid as Plasma Carboxypeptidase B Inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2010-07-07 EP disclosed
US-7528173-B2 Plasma carboxypeptidase B inhibitors SCHERING AKTIENGESELLSHAFT (DE) 2009-05-05 US disclosed
US-20090093520-A1 PLASMA CARBOXYPEPTIDASE B INHIBITORS BUCKMAN BRAD 2009-04-09 US disclosed
US-20060247213-A1 Plasma carboxypeptidase b inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-11-02 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 (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-20110319366-A1 Plasma Carboxypeptidase B Inhibitors CPB1, CPB2, CPA1 LMNA 1951/4885BACE1 333/4885MMP3 173/4885
US-20090093520-A1 PLASMA CARBOXYPEPTIDASE B INHIBITORS CPB1, CPB2, CPA1 LMNA 1951/4885BACE1 333/4885MMP3 173/4885
US-20060247213-A1 Plasma carboxypeptidase b inhibitors CPB1, CPB2, CPA1 LMNA 2096/4885BACE1 306/4885MMP3 173/4885

“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.