SCHEMBL9929932

SCHEMBL9929932

CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.47
CASP3 P42574 5/20 0.47
CASP7 P55210 5/20 0.47
CTSL P07711 3/20 0.44
CTSB P07858 3/20 0.44
CTSS P25774 3/20 0.44
CASP9 P55211 3/20 0.43
CASP10 Q92851 2/20 0.43
CASP4 P49662 2/20 0.42
CTSK P43235 3/20 0.42
CAPN1 P07384 1/20 0.42
CASP8 Q14790 1/20 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
SCHEMBL1396434 0.85 CASP3 (0.51) CASP1CASP3CASP7CTSLCTSB
SCHEMBL1396580 0.81 CASP3 (0.52) CASP1CASP3CASP7CASP9CASP10
SCHEMBL10453892 0.79 CAPN1 (0.61) CASP1CTSKCAPN1
SCHEMBL9929920 0.76 CASP3 (0.48) CASP1CASP3CASP7CTSLCTSB
SCHEMBL1396588 0.76 CASP3 (0.49) CASP1CASP3CASP7CTSLCTSB
SCHEMBL9656020 0.75 CAPN1 (0.62) CASP1CTSLCTSBCTSKCAPN1
SCHEMBL11697381 0.74 CASP1 (0.56) CASP1CTSLCTSBCTSSCTSK
SCHEMBL3718444 0.74 CASP3 (0.50) CASP1CASP3CASP7CTSLCTSB
SCHEMBL10868042 0.74 CAPN1 (0.58) CASP1CTSKCAPN1
SCHEMBL11699761 0.73 CTSK (0.53) CASP1CTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167313-B2 Selective caspase inhibitors and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2019-01-01 US disclosed
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-04-27 US 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-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 (4 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 CASP1 2/4885CASP3 1/4885CASP7 9/4885
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, VIP, CASP5 CASP1 1/4885CASP3 6/4885CASP7 13/4885
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP5 CASP1 1/4885CASP3 2/4885CASP7 7/4885
US-10167313-B2 Selective caspase inhibitors and uses thereof CASP1, CASP3, CASP5 CASP1 1/4885CASP3 2/4885CASP7 7/4885

“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.