SCHEMBL4654152

SCHEMBL4654152

Nc1ccc(OC(=O)N[C@H](CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.47
NAALAD2 Q9Y3Q0 5/20 0.47
RIMKLA Q8IXN7 1/20 0.47
TMPRSS15 P98073 3/20 0.45
CA2 P00918 3/20 0.45
CA1 P00915 2/20 0.45
GAA P10253 2/20 0.45
PRSS1 P07477 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
CASP6 P55212 1/20 0.42
GFER P55789 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL4654148 1.00 FOLH1 (0.47) FOLH1NAALAD2RIMKLATMPRSS15CA2
SCHEMBL5259353 0.87 NAALAD2 (0.56) FOLH1NAALAD2RIMKLAGAA
SCHEMBL1834431 0.87 NAALAD2 (0.56) FOLH1NAALAD2RIMKLAGAA
SCHEMBL13610482 0.84 NAALAD2 (0.49) FOLH1NAALAD2RIMKLATMPRSS15GAA
SCHEMBL8477195 0.81 FOLH1 (0.50) FOLH1NAALAD2RIMKLACA2CA1
SCHEMBL26915268 0.81 FOLH1 (0.50) FOLH1NAALAD2RIMKLACA2CA1
SCHEMBL4653834 0.79 GAA (0.42) FOLH1NAALAD2RIMKLATMPRSS15CA2
SCHEMBL4652873 0.79 GAA (0.42) FOLH1NAALAD2RIMKLATMPRSS15CA2
SCHEMBL5262634 0.78 KMT2A (0.57) NAALAD2TMPRSS15CA2CA1GAA
SCHEMBL5262631 0.78 KMT2A (0.57) NAALAD2TMPRSS15CA2CA1GAA

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 5 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 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

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 FOLH1 150/4885NAALAD2 331/4885RIMKLA 829/4885

“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.