SCHEMBL20187261

SCHEMBL20187261

O=C(NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(Cc1ccc(F)cc1)C(=O)O)OCc1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.55
CTSB P07858 5/20 0.51
TGM2 P21980 2/20 0.49
KDM1A O60341 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CA2 P00918 1/20 0.44

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
SCHEMBL20187260 1.00 CTSL (0.55) CTSLCTSBTGM2KDM1AALDH1A1
SCHEMBL18228994 0.92 CTSL (0.64) CTSLCTSB
SCHEMBL20187253 0.89 CTSL (0.57) CTSLCTSBTGM2ALDH1A1
SCHEMBL20187252 0.89 CTSL (0.57) CTSLCTSBTGM2ALDH1A1
SCHEMBL20187270 0.86 KDM1A (0.50) CTSLCTSBTGM2KDM1A
SCHEMBL20187267 0.86 KDM1A (0.50) CTSLCTSBTGM2KDM1A
SCHEMBL18229001 0.86 CTSL (0.51) CTSLCTSBTGM2CA2
SCHEMBL20187248 0.86 CTSL (0.51) CTSLCTSBTGM2CA2
SCHEMBL18229063 0.85 CTSL (0.51) CTSLCTSBALDH1A1CA2
SCHEMBL10724240 0.82 TACR1 (0.61) CTSLCTSBALDH1A1

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 1017/4885TGM2 1974/4885
US-10287316-B2 Process for preparation of nitrogen mustard derivatives CBR3, GRHPR, CTH CTSL 1776/4885CTSB 1017/4885TGM2 1974/4885

“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.