SCHEMBL9929920

SCHEMBL9929920

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)N(C(=O)[C@H](C)NC(=O)OCc1ccccc1)c1ccc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 11/20 0.48
CASP7 P55210 7/20 0.48
CASP1 P29466 7/20 0.48
CASP9 P55211 3/20 0.48
MME P08473 1/20 0.43
ECE1 P42892 1/20 0.43
CTSK P43235 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 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
SCHEMBL1396580 0.96 CASP3 (0.52) CASP3CASP7CASP1CASP9MME
SCHEMBL1396434 0.91 CASP3 (0.51) CASP3CASP7CASP1CASP9CTSK
SCHEMBL3718444 0.86 CASP3 (0.50) CASP3CASP7CASP1CASP9CTSK
SCHEMBL1396588 0.84 CASP3 (0.49) CASP3CASP7CASP1CASP9CTSL
SCHEMBL1396589 0.83 CASP3 (0.59) CASP3CASP7CASP1CASP9
SCHEMBL3718219 0.82 CASP3 (0.48) CASP3CASP7CASP1CASP9
SCHEMBL1483724 0.79 ADAMTS4 (0.39) CASP3CASP7CASP1CASP9
SCHEMBL4430771 0.77 MME (0.59) CASP3CASP1MMEECE1CTSK
SCHEMBL7155003 0.77 MME (0.59) CASP3CASP1MMEECE1CTSK
SCHEMBL14433707 0.77 MME (0.59) CASP3CASP1MMEECE1CTSK

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 6/4885CASP7 13/4885CASP1 1/4885

“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.