SCHEMBL20187253

SCHEMBL20187253

COc1ccc(COC(=O)NC(Cc2ccc([N+](=O)[O-])cc2)C(=O)NC(Cc2ccc(F)cc2)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.57
CTSB P07858 5/20 0.51
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
F2 P00734 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
TGM2 P21980 1/20 0.48
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ATM Q13315 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
SCHEMBL20187252 1.00 CTSL (0.57) CTSLCTSBMMEACECPA1
SCHEMBL18228994 0.91 CTSL (0.64) CTSLCTSBCTSSCTSK
SCHEMBL20187261 0.89 CTSL (0.55) CTSLCTSBTGM2ALDH1A1
SCHEMBL20187260 0.89 CTSL (0.55) CTSLCTSBTGM2ALDH1A1
SCHEMBL18229063 0.87 CTSL (0.51) CTSLCTSBMMEACECPA1
SCHEMBL20187271 0.87 MME (0.52) CTSLCTSBMMEACECPA1
SCHEMBL20187268 0.87 MME (0.52) CTSLCTSBMMEACECPA1
SCHEMBL18229001 0.86 CTSL (0.51) CTSLCTSBMMEACECPA1
SCHEMBL20187248 0.86 CTSL (0.51) CTSLCTSBMMEACECPA1
SCHEMBL7317573 0.83 HDAC8 (0.64) CTSLCTSBF2HDAC8CTSS

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 1776/4885CTSB 1017/4885MME 270/4885
US-10287316-B2 Process for preparation of nitrogen mustard derivatives CBR3, GRHPR, CTH CTSL 1776/4885CTSB 1017/4885MME 270/4885

“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.