SCHEMBL7971579

SCHEMBL7971579

C=CCOC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.51
CTSK P43235 3/20 0.51
ABCB1 P08183 1/20 0.49
CASP3 P42574 3/20 0.48
CASP7 P55210 1/20 0.48
CASP1 P29466 2/20 0.46
CASP9 P55211 1/20 0.46
CTSB P07858 4/20 0.46
REN P00797 5/20 0.44
CTSD P07339 1/20 0.43

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
SCHEMBL9961969 0.93 CTSL (0.50) CTSLCTSKABCB1CASP3CASP7
SCHEMBL12829401 0.92 CTSL (0.49) CTSLCTSKCASP3CASP7CASP1
SCHEMBL7886440 0.91 CTSK (0.52) CTSLCTSKCASP3CASP7CASP1
SCHEMBL18782304 0.90 CTSL (0.51) CTSLCTSKABCB1CASP3CASP7
SCHEMBL16770322 0.90 CTSL (0.56) CTSLCTSKABCB1CASP3CASP7
SCHEMBL7887054 0.87 CASP3 (0.51) CTSKCASP3CASP7CASP1CASP9
SCHEMBL7885844 0.87 CASP3 (0.54) CTSLCTSKCASP3CASP7CASP1
SCHEMBL9962153 0.85 CASP3 (0.59) CTSKCASP3CASP7CASP1CASP9
SCHEMBL9961861 0.84 CASP3 (0.64) CTSLCTSKCASP3CASP7CASP1
SCHEMBL7968958 0.84 CASP3 (0.64) CTSLCTSKCASP3CASP7CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2288615-B1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-06-21 EP disclosed
US-9562069-B2 Selective caspase inhibitors and uses thereof NEW WORLD LABORATORIES INC. (CA) 2017-02-07 US disclosed
US-9045524-B2 Selective caspase inhibitors and uses thereof NOVAGENESIS FOUNDATION (CH) 2015-06-02 US disclosed
US-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2015-01-08 US disclosed
US-8791235-B2 Selective caspase inhibitors and uses thereof NOVAGENESIS FOUNDATION (CH) 2014-07-29 US disclosed
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES, INC. (CA) 2012-06-21 US disclosed
WO-2009140765-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2009-11-26 WO 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 (2 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-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP3, CASP1, HTRA2 CTSL 43/4885CTSK 137/4885ABCB1 1386/4885
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, VIP, CASP5 CTSL 30/4885CTSK 90/4885ABCB1 1003/4885

“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.