SCHEMBL29308019

SCHEMBL29308019

CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.54
CTSK P43235 9/20 0.52
MMP3 P08254 4/20 0.51
MMP1 P03956 2/20 0.49
CTSL P07711 4/20 0.49
CTSS P25774 1/20 0.49
SIRT5 Q9NXA8 1/20 0.48
CAPN1 P07384 2/20 0.48

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
SCHEMBL29308018 0.90 SIRT2 (0.52) SIRT5
SCHEMBL29360420 0.88 MMP3 (0.58) CTSKMMP3MMP1CTSLCTSS
SCHEMBL30643726 0.86 PTPN1 (0.49) PSMB5MMP3
SCHEMBL29115274 0.86 PTPN1 (0.49) PSMB5MMP3
SCHEMBL29115273 0.86 PTPN1 (0.49) PSMB5MMP3
SCHEMBL29308943 0.85 REN (0.44) PSMB5MMP3MMP1
SCHEMBL2670274 0.85 CASP3 (0.51) CTSKMMP3SIRT5
SCHEMBL2670268 0.85 CASP3 (0.51) CTSKMMP3SIRT5
SCHEMBL9819550 0.84 CTSK (0.63) PSMB5CTSKCTSLCTSSCAPN1
SCHEMBL30480137 0.84 CTSK (0.60) PSMB5CTSKCTSLCTSSCAPN1

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-12036286-B2 Selective drug release from internalized conjugates of biologically active compounds SEAGEN INC. (US) 2024-07-16 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-12036286-B2 Selective drug release from internalized conjugates of biologically active compounds CTSB, CTSE, CTSZ PSMB5 594/4885CTSK 11/4885MMP3 205/4885

“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.