SCHEMBL4652873

SCHEMBL4652873

O=C(O)CC[C@H](NC(=O)Oc1ccc(N(CCO)CCO)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
FOLH1 Q04609 6/20 0.41
NAALAD2 Q9Y3Q0 5/20 0.41
RIMKLA Q8IXN7 1/20 0.41
TMPRSS15 P98073 1/20 0.39
TYMS P04818 1/20 0.39
DHFR P00374 1/20 0.38
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL4653834 1.00 GAA (0.42) GAAFOLH1NAALAD2RIMKLATMPRSS15
SCHEMBL4161725 0.89 GAA (0.41) GAAFOLH1NAALAD2RIMKLATMPRSS15
SCHEMBL7902705 0.89 LMNA (0.49) GAAFOLH1NAALAD2RIMKLATMPRSS15
SCHEMBL4652770 0.89 GAA (0.41) GAAFOLH1NAALAD2RIMKLATMPRSS15
SCHEMBL4469539 0.89 LMNA (0.49) GAAFOLH1NAALAD2RIMKLATMPRSS15
SCHEMBL7902128 0.89 GAA (0.41) GAAFOLH1NAALAD2RIMKLATMPRSS15
SCHEMBL4652743 0.87 GAA (0.40) GAAFOLH1NAALAD2RIMKLATMPRSS15
SCHEMBL4652866 0.87 GAA (0.40) GAAFOLH1NAALAD2RIMKLATMPRSS15
SCHEMBL4652731 0.83 CA2 (0.40) GAAFOLH1NAALAD2RIMKLATMPRSS15
SCHEMBL4652733 0.83 CA2 (0.40) GAAFOLH1NAALAD2RIMKLATMPRSS15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355876-B1 METHODS OF CHEMICAL SYNTHESIS OF PHENOLIC NITROGEN MUSTARD PRODRUGS CANCER RES INST ROYAL (GB) 2008-11-05 EP claimed
US-6916949-B2 Methods of chemical systhesis of phenolic nitrogen mustard prodrugs CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-07-12 US claimed
US-20040087813-A1 Methods of chemical systhesis of phenolic nitrogen mustard prodrugs THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2004-05-06 US claimed
EP-1355876-A1 METHODS OF CHEMICAL SYNTHESIS OF PHENOLIC NITROGEN MUSTARD PRODRUGS Cancer Research Technology Limited (GB) 2003-10-29 EP claimed
WO-2002060862-A1 METHODS OF CHEMICAL SYNTHESIS OF PHENOLIC NITROGEN MUSTARD PRODRUGS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-08-08 WO claimed
EP-1355876-B1 METHODS OF CHEMICAL SYNTHESIS OF PHENOLIC NITROGEN MUSTARD PRODRUGS CANCER RES INST ROYAL (GB) 2008-11-05 EP disclosed
US-6916949-B2 Methods of chemical systhesis of phenolic nitrogen mustard prodrugs CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-07-12 US disclosed
US-20040087813-A1 Methods of chemical systhesis of phenolic nitrogen mustard prodrugs THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2004-05-06 US disclosed
EP-1355876-A1 METHODS OF CHEMICAL SYNTHESIS OF PHENOLIC NITROGEN MUSTARD PRODRUGS Cancer Research Technology Limited (GB) 2003-10-29 EP disclosed
WO-2002060862-A1 METHODS OF CHEMICAL SYNTHESIS OF PHENOLIC NITROGEN MUSTARD PRODRUGS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-08-08 WO disclosed
US-6277880-B1 ANTIBODY DIRECTED ENZYME PRODUG THERAPY ZENECA LIMITED (GB) 2001-08-21 US disclosed
EP-0651740-B1 AMINO ACID LINKED NITROGEN MUSTARD DERIVATIVES AND THEIR USE AS PRODRUGS IN THE TREATMENT OF TUMOURS ZENECA LTD (GB) 1998-10-21 EP 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-20040087813-A1 Methods of chemical systhesis of phenolic nitrogen mustard prodrugs GGH, GLUL, GSS GAA 723/4885FOLH1 150/4885NAALAD2 331/4885

“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.