SCHEMBL2353877

SCHEMBL2353877

CC(C)[C@H](NC(=O)OCc1ccccc1)P(=O)(O)O

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.72
PRTN3 P24158 2/20 0.67
ATM Q13315 1/20 0.54
ACE2 Q9BYF1 1/20 0.53
ECE1 P42892 4/20 0.53
MME P08473 2/20 0.53
CTSK P43235 3/20 0.52
KYNU Q16719 1/20 0.52
CTRB1 P17538 2/20 0.51
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50

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
SCHEMBL2353879 1.00 ELANE (0.72) ELANEPRTN3ATMACE2ECE1
SCHEMBL5076528 0.88 ELANE (0.67) ELANEPRTN3ATMACE2ECE1
SCHEMBL5074010 0.88 TACR1 (0.62) ELANEPRTN3CTSKCTSLCTSB
SCHEMBL8740045 0.85 ELANE (0.60) ELANEPRTN3ATMACE2ECE1
SCHEMBL11567174 0.85 ELANE (0.60) ELANEPRTN3ATMACE2ECE1
SCHEMBL4163321 0.85 ELANE (0.60) ELANEPRTN3ATMACE2ECE1
SCHEMBL6130869 0.84 ELANE (0.63) ELANEPRTN3ATMACE2ECE1
SCHEMBL9970972 0.84 ELANE (1.00) ELANEPRTN3
SCHEMBL6130888 0.82 ELANE (0.61) ELANEPRTN3ATMACE2ECE1
SCHEMBL11033479 0.82 ELANE (0.60) ELANEPRTN3ECE1MMECTSK

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 8 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
EP-1497300-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS Schering Aktiengesellschaft (DE) 2005-01-19 EP disclosed
WO-2003080631-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 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-20110319366-A1 Plasma Carboxypeptidase B Inhibitors CPB1, CPB2, CPA1 ELANE 182/4885PRTN3 83/4885ATM 4775/4885
US-20090093520-A1 PLASMA CARBOXYPEPTIDASE B INHIBITORS CPB1, CPB2, CPA1 ELANE 182/4885PRTN3 83/4885ATM 4775/4885
US-20060247213-A1 Plasma carboxypeptidase b inhibitors CPB1, CPB2, CPA1 ELANE 153/4885PRTN3 84/4885ATM 4774/4885

“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.