SCHEMBL9962153

SCHEMBL9962153

C=CCOC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 14/20 0.59
CTSK P43235 3/20 0.51
CTSB P07858 2/20 0.51
CTSS P25774 1/20 0.47
CASP7 P55210 8/20 0.46
CASP1 P29466 5/20 0.46
REN P00797 1/20 0.45
CTSD P07339 1/20 0.44
CASP9 P55211 3/20 0.42

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
SCHEMBL9962288 0.91 CASP3 (0.60) CASP3CTSKCTSBCASP7CASP1
SCHEMBL9961959 0.90 CASP3 (0.62) CASP3CTSKCTSBCTSSCASP7
SCHEMBL7888191 0.90 CTSK (0.53) CASP3CTSKCTSBCTSSCASP1
SCHEMBL7886440 0.89 CTSK (0.52) CASP3CTSKCTSBCTSSCASP7
SCHEMBL19944793 0.87 CASP3 (0.45) CASP3CTSKCTSBCASP7CASP1
SCHEMBL20052454 0.87 CASP3 (0.45) CASP3CTSKCTSBCASP7CASP1
SCHEMBL9962256 0.87 CTSK (0.59) CASP3CTSKCTSBCTSSCASP1
SCHEMBL18471610 0.85 CASP3 (0.64) CASP3CTSKCTSBCASP7CASP1
SCHEMBL7968958 0.85 CASP3 (0.64) CASP3CTSKCTSBCASP7CASP1
SCHEMBL9961861 0.85 CASP3 (0.64) CASP3CTSKCTSBCASP7CASP1

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 CASP3 6/4885CTSK 90/4885CTSB 44/4885

“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.