SCHEMBL18429620

SCHEMBL18429620

CCOC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.58
CTSK P43235 10/20 0.58
CTSB P07858 4/20 0.58
CTSL P07711 2/20 0.58
AKT1 P31749 1/20 0.52
ACE P12821 1/20 0.51
REN P00797 2/20 0.50
PSMB1 P20618 1/20 0.48
PSMB8 P28062 1/20 0.48
PSMB9 P28065 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB10 P40306 1/20 0.48
PSMB2 P49721 1/20 0.48
KLK5 Q9Y337 1/20 0.48
PTPN1 P18031 1/20 0.47

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
SCHEMBL18495337 1.00 CTSS (0.58) CTSSCTSKCTSBCTSLAKT1
SCHEMBL18495336 0.92 CTSS (0.56) CTSSCTSKCTSBCTSLAKT1
SCHEMBL18429598 0.92 CTSS (0.56) CTSSCTSKCTSBCTSLAKT1
SCHEMBL21320234 0.91 CTSS (0.55) CTSSCTSKCTSBCTSLAKT1
SCHEMBL18495335 0.90 CTSS (0.62) CTSSCTSKCTSBCTSLAKT1
SCHEMBL18429365 0.90 CTSS (0.62) CTSSCTSKCTSBCTSLAKT1
SCHEMBL10456411 0.90 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL10944784 0.90 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL9011201 0.86 PSMB1 (0.59) CTSSCTSKCTSBCTSLREN
SCHEMBL30100564 0.85 CTSS (0.61) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11185594-B2 (Anti-HER2 antibody)-drug conjugate DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-11-30 US disclosed
EP-3130608-B1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE DAIICHI SANKYO CO LTD (JP) 2019-09-04 EP disclosed
EP-3130608-A1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE Daiichi Sankyo Co., Ltd. (JP) 2017-02-15 EP disclosed
US-20170035906-A1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-02-09 US disclosed
US-20170035906-A1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-02-09 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 (2 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-20170035906-A1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE ERBB2, EGFR, LANCL2 CTSS 1855/4885CTSK 2204/4885CTSB 625/4885
US-11185594-B2 (Anti-HER2 antibody)-drug conjugate ERBB2, EGFR, LANCL2 CTSS 1855/4885CTSK 2204/4885CTSB 625/4885

“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.