SCHEMBL11911364

SCHEMBL11911364

COC(=O)CC(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)C)C(C)C)C(=O)COc1c(F)cccc1F

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 18/20 0.49
CASP6 P55212 17/20 0.49
CASP8 Q14790 17/20 0.49
CTSD P07339 1/20 0.39

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
SCHEMBL2878064 1.00 CASP3 (0.49) CASP3CASP6CASP8CTSD
SCHEMBL20870231 1.00 CASP3 (0.49) CASP3CASP6CASP8CTSD
SCHEMBL11896297 1.00 CASP3 (0.49) CASP3CASP6CASP8CTSD
SCHEMBL2878062 1.00 CASP3 (0.49) CASP3CASP6CASP8CTSD
SCHEMBL11896299 1.00 CASP3 (0.49) CASP3CASP6CASP8CTSD
SCHEMBL11896298 1.00 CASP3 (0.49) CASP3CASP6CASP8CTSD
SCHEMBL13260540 0.97 CASP3 (0.47) CASP3CASP6CASP8CTSD
SCHEMBL17494191 0.94 CASP3 (0.54) CASP3CASP6CASP8
SCHEMBL17494192 0.94 CASP3 (0.54) CASP3CASP6CASP8
SCHEMBL17494193 0.94 CASP3 (0.54) CASP3CASP6CASP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196892-A1 NOVEL CASPASE-2 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2012-08-02 US disclosed
US-20100184703-A1 USE OF PEPTIDE DERIVATIVES FOR TREATING PATHOLOGIES RESULTING FROM ISCHEMIA CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-22 US disclosed
US-20100184703-A1 USE OF PEPTIDE DERIVATIVES FOR TREATING PATHOLOGIES RESULTING FROM ISCHEMIA CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-22 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 (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-20120196892-A1 NOVEL CASPASE-2 INHIBITORS CASP2, CASP1, CASP9 CASP3 5/4885CASP6 8/4885CASP8 13/4885
US-20100184703-A1 USE OF PEPTIDE DERIVATIVES FOR TREATING PATHOLOGIES RESULTING FROM ISCHEMIA CASP2, TNNI3, TNNT2 CASP3 6/4885CASP6 21/4885CASP8 53/4885

“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.