SCHEMBL20187263

SCHEMBL20187263

CC(C)(C)OC(=O)NC(Cc1ccc(N)cc1)C(=O)NC(Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.66
CTSK P43235 6/20 0.66
ACE P12821 1/20 0.53
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 0.53
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
REN P00797 3/20 0.49
PTPN1 P18031 1/20 0.48
SCN9A Q15858 2/20 0.48
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47
ITGB5 P18084 1/20 0.47
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46

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
SCHEMBL18228975 1.00 CTSS (0.66) CTSSCTSKACEITGB3ITGA2B
SCHEMBL22962027 0.91 CTSS (0.69) CTSSCTSKACEITGB3ITGA2B
SCHEMBL1108339 0.89 ACE (0.62) CTSSCTSKACEITGB3ITGA2B
SCHEMBL479234 0.89 CTSS (0.72) CTSSCTSKACEITGB3ITGA2B
SCHEMBL479232 0.89 CTSS (0.72) CTSSCTSKACEITGB3ITGA2B
SCHEMBL376103 0.89 ACE (0.62) CTSSCTSKACEITGB3ITGA2B
SCHEMBL2730038 0.89 ACE (0.62) CTSSCTSKACEITGB3ITGA2B
SCHEMBL2109180 0.89 CTSS (0.72) CTSSCTSKACEITGB3ITGA2B
SCHEMBL30138541 0.89 CTSS (0.69) CTSSCTSKACEITGB3ITGA2B
SCHEMBL18228972 0.89 CTSS (0.50) CTSSCTSKACEITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280721-B1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES ONCOPEPTIDES AB (SE) 2020-07-22 EP disclosed
US-10287316-B2 Process for preparation of nitrogen mustard derivatives ONCOPEPTIDES AB (SE) 2019-05-14 US disclosed
US-20180148473-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES ONCOPEPTIDES AB (SE) 2018-05-31 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-20180148473-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES CBR3, GRHPR, CTH CTSS 905/4885CTSK 1803/4885ACE 1077/4885
US-10287316-B2 Process for preparation of nitrogen mustard derivatives CBR3, GRHPR, CTH CTSS 905/4885CTSK 1803/4885ACE 1077/4885

“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.