SCHEMBL178686

SCHEMBL178686

CCC(=O)/C=C/C(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 4/20 0.68
CTSL P07711 2/20 0.44
CTSK P43235 2/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.40
TPSAB1 Q15661 2/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40

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
SCHEMBL15271295 0.92 LGMN (0.71) LGMNCTSLCTSKCTSBCTSS
SCHEMBL18780269 0.91 LGMN (0.70) LGMNCTSLCTSKCTSBCTSS
SCHEMBL13938880 0.91 LGMN (0.78) LGMNCTSLCTSKCTSBCTSS
SCHEMBL12022464 0.91 LGMN (0.78) LGMNCTSLCTSKCTSBCTSS
SCHEMBL13938893 0.90 LGMN (0.79) LGMNCTSLCTSKCTSBCTSS
SCHEMBL12022495 0.90 LGMN (0.79) LGMNCTSLCTSKCTSBCTSS
SCHEMBL12022476 0.90 LGMN (0.82) LGMNCTSLCTSKCTSBCTSS
SCHEMBL18717385 0.90 LGMN (0.69) LGMNCTSLCTSKCTSBCTSS
SCHEMBL18717386 0.88 LGMN (0.67) LGMNCTSLCTSKCTSBCTSS
SCHEMBL16421523 0.88 LGMN (0.67) LGMNCTSLCTSKCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058177-A1 NANOPARTICLE-BASED TUMOR-TARGETED DRUG DELIVERY THE SCRIPPS RESEARCH INSTITUTE 2012-03-08 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 (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-20120058177-A1 NANOPARTICLE-BASED TUMOR-TARGETED DRUG DELIVERY LGMN, LNPEP, CLTA LGMN 1/4885CTSL 258/4885CTSK 900/4885

“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.