SCHEMBL9608962

SCHEMBL9608962

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.58
CTSK P43235 6/20 0.56
CTSB P07858 3/20 0.56
CTSL P07711 3/20 0.53
CTSS P25774 3/20 0.53
CASP3 P42574 3/20 0.53
CA2 P00918 1/20 0.53
CA5A P35218 1/20 0.53
CA1 P00915 1/20 0.51
CASP1 P29466 2/20 0.50
CASP7 P55210 2/20 0.50
CASP6 P55212 2/20 0.50
CASP8 Q14790 2/20 0.50
CTSD P07339 1/20 0.50
CASP9 P55211 1/20 0.50

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
SCHEMBL17553556 0.88 CTSK (0.65) SYKCTSKCTSBCTSLCTSS
SCHEMBL11657615 0.87 SYK (0.59) SYKCTSKCTSBCTSLCTSS
SCHEMBL20885259 0.87 SYK (0.59) SYKCTSKCTSBCTSLCTSS
SCHEMBL25908075 0.87 SYK (0.57) SYKCTSKCTSBCTSLCTSS
SCHEMBL8141342 0.85 CTSK (0.56) SYKCTSKCTSBCTSSCASP3
SCHEMBL21684844 0.85 CTSK (0.56) SYKCTSKCTSBCTSSCASP3
SCHEMBL6279109 0.85 CTSK (0.56) SYKCTSKCTSBCTSSCASP3
SCHEMBL20046452 0.85 CA2 (0.58) SYKCTSKCTSBCTSLCTSS
SCHEMBL20075956 0.85 CA2 (0.58) SYKCTSKCTSBCTSLCTSS
SCHEMBL12873000 0.85 KLK5 (0.57) SYKCTSKCTSBCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 US disclosed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 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-20100190688-A1 Tetrapeptide analogs TP53, PCNA, HRAS SYK 3830/4885CTSK 2701/4885CTSB 2312/4885

“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.