SCHEMBL782292

SCHEMBL782292

CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)C(=O)CC#N

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.35
CTSL P07711 5/20 0.35
CTSB P07858 5/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSK P43235 7/20 0.33
GLA P06280 1/20 0.32
MCL1 Q07820 2/20 0.31
CTSD P07339 2/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL782293 0.94 CTSS (0.35) CTSSCTSLCTSBALDH1A1MEN1
SCHEMBL182386 0.78 ALDH1A1 (0.41) CTSSCTSLCTSBALDH1A1MEN1
SCHEMBL6534709 0.77 HDAC6 (0.33) CTSSCTSLCTSBALDH1A1
SCHEMBL1742305 0.76 AKT1 (0.39) ALDH1A1
SCHEMBL782398 0.76 CA14 (0.32) MEN1KMT2A
SCHEMBL13110654 0.74 CA14 (0.34) CTSSCTSLCTSB
SCHEMBL9893327 0.73 PHF8 (0.39) CTSSCTSLCTSBALDH1A1
SCHEMBL15143768 0.72 HDAC6 (0.34)
SCHEMBL28409176 0.72 CA14 (0.41) CTSSCTSLCTSBCTSD
SCHEMBL7176207 0.72 DGAT1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070856-A1 CROSS-LINKING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2012-03-22 US disclosed
US-20120070856-A1 CROSS-LINKING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2012-03-22 US disclosed
US-20120070856-A1 CROSS-LINKING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2012-03-22 US disclosed
WO-2010100238-A1 CROSS-LINKING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-09-10 WO disclosed
EP-2226314-A1 Cross-linking agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE -CNRS- (FR) 2010-09-08 EP 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-20120070856-A1 CROSS-LINKING AGENTS ORC3, TXN, PROC CTSS 4215/4885CTSL 4328/4885CTSB 4397/4885

“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.