SCHEMBL10051907

SCHEMBL10051907

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
CTSD P07339 1/20 0.42
CASP3 P42574 8/20 0.41
CASP7 P55210 6/20 0.41
CASP1 P29466 2/20 0.41
CASP9 P55211 2/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
CCR1 P32246 1/20 0.40
CTSK P43235 2/20 0.40

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
SCHEMBL10051904 0.89 CASP3 (0.49) CTSDCASP3CASP7CASP1CASP9
SCHEMBL11896298 0.83 CASP3 (0.49) CTSDCASP3
SCHEMBL2878064 0.83 CASP3 (0.49) CTSDCASP3
SCHEMBL20870231 0.83 CASP3 (0.49) CTSDCASP3
SCHEMBL11911364 0.83 CASP3 (0.49) CTSDCASP3
SCHEMBL11896299 0.83 CASP3 (0.49) CTSDCASP3
SCHEMBL11896297 0.83 CASP3 (0.49) CTSDCASP3
SCHEMBL2878062 0.83 CASP3 (0.49) CTSDCASP3
SCHEMBL23153509 0.82 CASP3 (0.48) ALDH1A1CTSDCASP3CASP7CASP1
SCHEMBL3491590 0.82 KDM4C (0.49) ALDH1A1CASP3CASP7GAAMAPT

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-8173600-B2 Caspase-2 inhibitors and their biological applications CHIESI FARMACEUTICI S.P.A. (IT) 2012-05-08 US disclosed
US-20080311051-A1 Caspase-2 Inhibitors And Their Biological Applications THERAPTOSIS SA (FR) 2008-12-18 US disclosed
US-20080311051-A1 Caspase-2 Inhibitors And Their Biological Applications THERAPTOSIS SA (FR) 2008-12-18 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-20080311051-A1 Caspase-2 Inhibitors And Their Biological Applications CASP1, CASP2, CASP9 ALDH1A1 2650/4885HPGD 3843/4885CTSD 307/4885

“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.