SCHEMBL782293

SCHEMBL782293

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.35
CTSL P07711 3/20 0.35
CTSB P07858 3/20 0.35
CTSK P43235 6/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL782292 0.94 CTSS (0.35) CTSSCTSLCTSBCTSKMEN1
SCHEMBL1725614 0.81 MCL1 (0.39)
SCHEMBL1742306 0.79 AKT1 (0.38) ALDH1A1
SCHEMBL782399 0.79 MEN1 (0.31) MEN1KMT2A
SCHEMBL4918504 0.76 CA14 (0.37)
SCHEMBL9893327 0.75 PHF8 (0.39) CTSSCTSLCTSBALDH1A1
SCHEMBL13254363 0.75 PHF8 (0.34) CTSSCTSLCTSB
SCHEMBL182386 0.73 ALDH1A1 (0.41) CTSSCTSLCTSBCTSKMEN1
SCHEMBL6534709 0.72 HDAC6 (0.33) CTSSCTSLCTSBALDH1A1
SCHEMBL9945620 0.71 PHF8 (0.39)

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-20120070856-A1 CROSS-LINKING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2012-03-22 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-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.