SCHEMBL1490176

SCHEMBL1490176

COC(=O)[C@@H]1CCCN2C(=O)CC[C@H](N)C(=O)N12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.40
MME P08473 1/20 0.39
POLB P06746 1/20 0.36
PEPD P12955 2/20 0.36
XPNPEP1 Q9NQW7 1/20 0.36
CASP1 P29466 4/20 0.35
FKBP1A P62942 2/20 0.35
LCK P06239 2/20 0.34
LTA4H P09960 2/20 0.34
IL1B P01584 1/20 0.34
BRD4 O60885 1/20 0.33
MMP2 P08253 1/20 0.33
ANPEP P15144 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
SCHEMBL949749 0.86 ACE (0.40) ACEMMECASP1LCK
SCHEMBL644711 0.86 ACE (0.40) ACEMMECASP1LCK
SCHEMBL14078890 0.85 ACE (0.42) ACEMMECASP1LCKIL1B
SCHEMBL10663842 0.84 ACE (0.40) ACEMMEPOLBPEPDXPNPEP1
SCHEMBL645674 0.83 ACE (0.56) ACEMMECASP1IL1B
SCHEMBL6627295 0.83 ACE (0.43) ACEMMECASP1LCKIL1B
SCHEMBL7088512 0.83 ACE (0.56) ACEMMECASP1IL1B
SCHEMBL7339985 0.83 ACE (0.56) ACEMMECASP1IL1B
SCHEMBL7088511 0.83 ACE (0.56) ACEMMECASP1IL1B
Water SCHEMBL10565338 0.82 ACE (0.54) ACEMMECASP1IL1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2848696-A1 Caspase-1 imaging probes Sanofi-Aventis Deutschland GmbH (DE) 2015-03-18 EP disclosed
US-20110059018-A1 COVALENTLY BINDING IMAGING PROBES SANOFI-AVENTIS (FR) 2011-03-10 US disclosed
EP-2262783-A2 COVALENTLY BINDING IMAGING PROBES Sanofi-Aventis (FR) 2010-12-22 EP disclosed
WO-2009103432-A2 COVALENTLY BINDING IMAGING PROBES SANOFI-AVENTIS (FR) 2009-08-27 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-20110059018-A1 COVALENTLY BINDING IMAGING PROBES CTSV, CTSL, CTSE ACE 684/4885MME 204/4885POLB 1749/4885

“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.