SCHEMBL9104287

SCHEMBL9104287

CC(C)(C)OC(=O)N[C@H](C=CC(=O)O)CC1CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 12/20 0.52
▸ CTSS P25774 3/20 0.52
▸ KMT2A Q03164 2/20 0.45
▸ AAK1 Q2M2I8 1/20 0.40
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ ATM Q13315 1/20 0.37

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
SCHEMBL9104279 1.00 CTSK (0.52) CTSKCTSSKMT2AAAK1CA1
SCHEMBL9102886 0.94 CTSK (0.50) CTSKCTSSKMT2AAAK1CA1
SCHEMBL9102877 0.94 CTSK (0.50) CTSKCTSSKMT2AAAK1CA1
SCHEMBL9104071 0.93 CTSK (0.55) CTSKCTSSKMT2AAAK1
SCHEMBL9104062 0.93 CTSK (0.55) CTSKCTSSKMT2AAAK1
SCHEMBL10270440 0.87 CTSK (0.48) CTSKCTSSKMT2AAAK1CA1
SCHEMBL384990 0.85 CTSK (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL9943895 0.85 CTSK (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL15797176 0.85 CTSK (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL9102463 0.85 CTSK (0.48) CTSKCTSSCA1CA2CA7

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-20120142668-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2012-06-07 — — 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-20120142668-A1 CATHEPSIN C INHIBITORS CTSE, CTSB, CTSS CTSK 8/4885CTSS 3/4885KMT2A 4280/4885

“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.

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