SCHEMBL24065192

SCHEMBL24065192

COC(=O)[C@H](Cc1ccc(N)c(N)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 2/20 0.56
KLK5 Q9Y337 1/20 0.54
CTSS P25774 10/20 0.47
CTSK P43235 9/20 0.47
CTSB P07858 4/20 0.47
ACE P12821 1/20 0.46
AAK1 Q2M2I8 1/20 0.46
CTSL P07711 2/20 0.46
LCK P06239 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
PTPN1 P18031 1/20 0.43
ERAP2 Q6P179 1/20 0.43

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
SCHEMBL28353206 0.94 CTSS (0.48) LNPEPKLK5CTSSCTSKCTSB
SCHEMBL29529273 0.94 CTSS (0.48) LNPEPKLK5CTSSCTSKCTSB
SCHEMBL20529400 0.90 KLK5 (0.52) LNPEPKLK5CTSSCTSKCTSB
SCHEMBL7102789 0.90 KLK5 (0.52) LNPEPKLK5CTSSCTSKCTSB
SCHEMBL7103652 0.89 KLK5 (0.51) LNPEPKLK5CTSSCTSKCTSB
SCHEMBL26699639 0.89 KLK5 (0.51) LNPEPKLK5CTSSCTSKCTSB
SCHEMBL26699643 0.89 KLK5 (0.51) LNPEPKLK5CTSSCTSKCTSB
SCHEMBL21639310 0.89 ACE (0.59) CTSSCTSKCTSBACECTSL
SCHEMBL21639309 0.89 ACE (0.59) CTSSCTSKCTSBACECTSL
SCHEMBL21664168 0.88 AAK1 (0.47) LNPEPKLK5CTSSCTSKCTSB

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-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-12-02 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-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 LNPEP 631/4885KLK5 4107/4885CTSS 1455/4885

“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.