SCHEMBL20187248

SCHEMBL20187248

CCOC(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.51
CA2 P00918 1/20 0.47
CTSB P07858 4/20 0.46
MME P08473 2/20 0.46
ACE P12821 2/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
TGM2 P21980 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL18229001 1.00 CTSL (0.51) CTSLCA2CTSBMMEACE
SCHEMBL18229063 0.90 CTSL (0.51) CTSLCA2CTSBMMEACE
SCHEMBL5026174 0.90 CA2 (0.55) CTSLCA2CTSBTGM2ITGB3
Hydrochloric Acid SCHEMBL28059744 0.89 CA2 (0.54) CTSLCA2CTSBTGM2ITGB3
Hydrochloric Acid SCHEMBL27675903 0.89 CA2 (0.54) CTSLCA2CTSBTGM2ITGB3
SCHEMBL18228994 0.88 CTSL (0.64) CTSLCTSBCTSSCTSK
SCHEMBL18228983 0.87 CTSS (0.61) CTSLCA2CTSBACECTSS
SCHEMBL20187250 0.87 CTSS (0.61) CTSLCA2CTSBACECTSS
SCHEMBL20187252 0.86 CTSL (0.57) CTSLCTSBMMEACECPA1
SCHEMBL20187253 0.86 CTSL (0.57) CTSLCTSBMMEACECPA1

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 CTSL 1776/4885CA2 300/4885CTSB 1017/4885
US-10287316-B2 Process for preparation of nitrogen mustard derivatives CBR3, GRHPR, CTH CTSL 1776/4885CA2 300/4885CTSB 1017/4885

“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.