SCHEMBL4461285

SCHEMBL4461285

C=CCN(CC=C)[C@@H](CCC(=O)O)C(=O)N=C=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
BLM P54132 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
EPOR P19235 1/20 0.30

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
SCHEMBL4461288 0.88
SCHEMBL226188 0.79 EPOR (0.43) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL226189 0.79 EPOR (0.43) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL5573448 0.72 FOLH1 (0.33) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL8726793 0.70 FOLH1 (0.35) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL8726797 0.70 FOLH1 (0.35) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL10355086 0.67 SLC6A2 (0.41) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL4459589 0.66 GRM8 (0.54) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL4459586 0.66 GRM8 (0.54) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL28959981 0.66 BLM (0.42) SLC6A2SLC6A4BLMSLC6A3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534670-B1 ENZYME ACTIVATED SELF-IMMOLATIVE N-SUBSTITUTED NITROGEN MUSTARD PRODRUGS CANCER REC TECH LTD (GB) 2009-12-02 EP disclosed
US-7235585-B2 Enzyme activated self-immolative n-substituted nitrogen mustard prodrugs CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-06-26 US disclosed
US-20060069154-A1 Enzyme activated self-immolative n-substituted nitrogen mustard prodrugs CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-03-30 US disclosed
EP-1534670-A1 ENZYME ACTIVATED SELF-IMMOLATIVE N-SUBSTITUTED NITROGEN MUSTARD PRODRUGS Cancer Research Technology Limited (GB) 2005-06-01 EP disclosed
WO-2004020400-A1 ENZYME ACTIVATED SELF-IMMOLATIVE N-SUBSTITUTED NITROGEN MUSTARD PRODRUGS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-03-11 WO disclosed
EP-0804413-B1 NITROGEN MUSTARD PRODRUGS WITH NOVEL LIPOPHILIC PROTECTING GROUPS, AND PROCESSES FOR THEIR PRODUCTION CANCER RES CAMPAIGN TECH (GB) 2000-05-17 EP disclosed
US-6005002-A Nitrogen mustard prodrugs with novel lipophilic protecting groups, and processes for their production CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-12-21 US disclosed
EP-0804413-A1 NITROGEN MUSTARD PRODRUGS WITH NOVEL LIPOPHILIC PROTECTING GROUPS, AND PROCESSES FOR THEIR PRODUCTION CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1997-11-05 EP disclosed
WO-1996022277-A1 NITROGEN MUSTARD PRODRUGS WITH NOVEL LIPOPHILIC PROTECTING GROUPS, AND PROCESSES FOR THEIR PRODUCTION CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-07-25 WO 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 (1 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-20060069154-A1 Enzyme activated self-immolative n-substituted nitrogen mustard prodrugs CNDP2, PNP, APRT SLC6A2 425/4885SLC6A4 949/4885BLM 2409/4885

“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.