SCHEMBL16459751

SCHEMBL16459751

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nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.44
CTSK P43235 8/20 0.44
CTSB P07858 2/20 0.44
CTSL P07711 1/20 0.44
ACE P12821 1/20 0.42
KLK5 Q9Y337 1/20 0.42
EPHX2 P34913 1/20 0.42
PPARA Q07869 5/20 0.41
PPARG P37231 4/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
PPARD Q03181 2/20 0.39

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
SCHEMBL16459748 1.00 CTSS (0.44) CTSSCTSKCTSBCTSLACE
SCHEMBL16478954 0.91 CTSS (0.42) CTSSCTSKCTSBCTSLACE
SCHEMBL30556887 0.89 KLK5 (0.52) CTSSCTSKCTSBCTSLACE
SCHEMBL26121650 0.85 ACE (0.57) CTSSCTSKCTSBCTSLACE
SCHEMBL590414 0.85 ACE (0.57) CTSSCTSKCTSBCTSLACE
SCHEMBL590413 0.85 ACE (0.57) CTSSCTSKCTSBCTSLACE
SCHEMBL16460505 0.83 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL16460506 0.83 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL29830619 0.83 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL16459373 0.81 PPARA (0.51) CTSSCTSKCTSBCTSLACE

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-20140012005-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS DIVERCHIM (FR) 2014-01-09 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-20140012005-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS BCAT1, DNPEP, BCAT2 CTSS 724/4885CTSK 2248/4885CTSB 1336/4885

“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.