SCHEMBL24094584

SCHEMBL24094584

CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.60
CTSK P43235 9/20 0.60
CTSB P07858 4/20 0.60
CTSL P07711 2/20 0.60
AKT1 P31749 1/20 0.53
ACE P12821 1/20 0.53
PSMB1 P20618 1/20 0.49
PSMB8 P28062 1/20 0.49
PSMB9 P28065 1/20 0.49
PSMB5 P28074 1/20 0.49
PSMB10 P40306 1/20 0.49
PSMB2 P49721 1/20 0.49
REN P00797 1/20 0.49
KLK5 Q9Y337 1/20 0.49
PTPN1 P18031 1/20 0.49
OPRD1 P41143 2/20 0.48
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 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
SCHEMBL6047666 1.00 CTSS (0.60) CTSSCTSKCTSBCTSLAKT1
SCHEMBL16983230 1.00 CTSS (0.60) CTSSCTSKCTSBCTSLAKT1
SCHEMBL31364171 1.00 CTSS (0.60) CTSSCTSKCTSBCTSLAKT1
SCHEMBL20216484 0.98 CTSS (0.63) CTSSCTSKCTSBCTSLAKT1
SCHEMBL20030538 0.98 CTSS (0.63) CTSSCTSKCTSBCTSLAKT1
SCHEMBL31364169 0.92 CTSS (0.59) CTSSCTSKCTSBCTSLAKT1
SCHEMBL21320235 0.92 CTSS (0.59) CTSSCTSKCTSBCTSLAKT1
SCHEMBL18429365 0.92 CTSS (0.62) CTSSCTSKCTSBCTSLAKT1
SCHEMBL18495335 0.92 CTSS (0.62) CTSSCTSKCTSBCTSLAKT1
SCHEMBL27371144 0.91 CTSS (0.58) CTSSCTSKCTSBCTSLAKT1

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-20210386866-A1 ANTIBODY-DRUG CONJUGATES CONTAINING AN ANTI-MESOTHELIN ANTIBODY AND USES THEREOF DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2021-12-16 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-20210386866-A1 ANTIBODY-DRUG CONJUGATES CONTAINING AN ANTI-MESOTHELIN ANTIBODY AND USES THEREOF MUC1, EPCAM, CD44 CTSS 2945/4885CTSK 2582/4885CTSB 1627/4885

“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.