SCHEMBL9940063

SCHEMBL9940063

CC(C)(C)C=C(ON=O)C(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 15/20 0.38
▸ CTSS P25774 7/20 0.38
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL9929687 0.81 CTSK (0.37) CTSKCTSSCTSLCTSBCA1
SCHEMBL9929780 0.76 CTSK (0.39) CTSKCTSSCTSLCTSB
SCHEMBL14984731 0.75 CTSK (0.49) CTSKCTSSCTSLCTSBCA1
SCHEMBL168105 0.75 CTSK (0.49) CTSKCTSSCTSLCTSBCA1
SCHEMBL11596489 0.73 CTSK (0.48) CTSKCTSSCTSLCTSBCA1
SCHEMBL2130020 0.73 CTSK (0.48) CTSKCTSSCTSLCTSBCA1
SCHEMBL17840460 0.73 CTSK (0.48) CTSKCTSSCTSLCTSBCA1
SCHEMBL3323682 0.73 CTSS (0.50) CTSKCTSSCTSLCTSBCA1
SCHEMBL688341 0.73 CTSS (0.50) CTSKCTSSCTSLCTSBCA1
SCHEMBL1486220 0.73 CTSS (0.50) CTSKCTSSCTSLCTSBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045524-B2 Selective caspase inhibitors and uses thereof NOVAGENESIS FOUNDATION (CH) 2015-06-02 — — US disclosed
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES, INC. (CA) 2012-06-21 — — 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-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, VIP, CASP5 CTSK 90/4885CTSS 73/4885CTSL 30/4885

“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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