SCHEMBL7610438

SCHEMBL7610438

CCC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.48
▸ CTSK P43235 2/20 0.48
▸ PSENEN Q9NZ42 1/20 0.46
▸ CTSD P07339 4/20 0.46
▸ REN P00797 2/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ CASP4 P49662 1/20 0.46
▸ CASP5 P51878 1/20 0.46
▸ CASP9 P55211 1/20 0.46
▸ CASP6 P55212 1/20 0.46
▸ CASP8 Q14790 1/20 0.46
▸ CASP10 Q92851 1/20 0.46
▸ MAGI3 Q5TCQ9 1/20 0.45

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
SCHEMBL7610443 1.00 CTSS (0.48) CTSSCTSKPSENENCTSDREN
SCHEMBL7613504 0.91 PSENEN (0.55) CTSSCTSKPSENENCTSDREN
SCHEMBL7613501 0.91 PSENEN (0.55) CTSSCTSKPSENENCTSDREN
SCHEMBL5176929 0.89 CTSD (0.53) CTSSCTSKPSENENCTSDREN
SCHEMBL31195265 0.84 CTSS (0.52) CTSSCTSKPSENENRENCASP1
SCHEMBL22068618 0.84 CTSS (0.65) CTSSCTSKPSENENCTSD
SCHEMBL22068619 0.84 CTSS (0.65) CTSSCTSKPSENENCTSD
SCHEMBL29974746 0.83 MAGI3 (0.56) CTSDRENCASP1CASP3CASP4
SCHEMBL29974620 0.83 MAGI3 (0.56) CTSDRENCASP1CASP3CASP4
SCHEMBL30185744 0.83 REN (0.45) CTSSCTSKREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020132776-A1 Inhibitors of transglutaminase N-ZYME BIOTECH GMBH (DE) 2002-09-19 — — 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-20020132776-A1 Inhibitors of transglutaminase TGM2, GNMT, TGM1 CTSS 1533/4885CTSK 1962/4885PSENEN 1959/4885

“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.

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