SCHEMBL4065110

SCHEMBL4065110

CN(C(=O)O)c1cccc(CO)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
CCR1 P32246 1/20 0.34
BRD4 O60885 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
PTGER2 P43116 1/20 0.32
PDE10A Q9Y233 2/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32

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
SCHEMBL4064831 0.87 PDE10A (0.38) NPSR1BRD4MEN1KMT2ANPC1
SCHEMBL4073680 0.85 NPSR1 (0.35) NPSR1CCR1BRD4MEN1KMT2A
SCHEMBL4071519 0.83 KCNH2 (0.40) NPSR1PDE10A
SCHEMBL4072739 0.81 HSD17B10 (0.34) NPSR1BRD4PTGER2
SCHEMBL29549750 0.80 PDE10A (0.40) NPSR1CCR1PDE10APGK1PGK2
SCHEMBL20745285 0.80 PDE10A (0.40) NPSR1CCR1PDE10APGK1PGK2
SCHEMBL27832354 0.79 CCR1 (0.34) NPSR1CCR1BRD4PTGER2PGK1
SCHEMBL1861969 0.79 POLB (0.35) NPSR1CCR1BRD4MEN1KMT2A
SCHEMBL23131099 0.79 PAX8 (0.40) NPSR1BRD4
SCHEMBL4928262 0.79 NPSR1 (0.34) NPSR1PDE10A

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-2049490-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL]-L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS Astra Zeneca AB (SE) 2009-04-22 EP disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B NPSR1 943/4885CCR1 2135/4885BRD4 1126/4885

“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.