SCHEMBL4737243

SCHEMBL4737243

NN1C[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
CTSL P07711 3/20 0.41
CTSB P07858 3/20 0.41
CTSK P43235 3/20 0.41
TSHR P16473 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CTSV O60911 1/20 0.39
CTSS P25774 1/20 0.39
CTSC P53634 1/20 0.39
CTSF Q9UBX1 1/20 0.39
PDE4D Q08499 1/20 0.39
NAAA Q02083 1/20 0.38
AGTR2 P50052 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 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
SCHEMBL4737240 0.79 BCHE (0.45) BCHEACHECTSLCTSBCTSK
SCHEMBL22756305 0.75 BCHE (0.49) BCHEACHECTSLCTSBCTSK
SCHEMBL22756306 0.75 BCHE (0.49) BCHEACHECTSLCTSBCTSK
SCHEMBL29589236 0.75 BCHE (0.49) BCHEACHECTSLCTSBCTSK
SCHEMBL30001024 0.75 BCHE (0.49) BCHEACHECTSLCTSBCTSK
SCHEMBL5351452 0.73 GBA1 (0.42) BCHEACHECTSLCTSBCTSK
SCHEMBL21783279 0.73 BCHE (0.57) BCHEACHECTSLCTSBCTSK
SCHEMBL4736581 0.73 BCHE (0.57) BCHEACHETSHRPDE4DLMNA
SCHEMBL4736657 0.73 BCHE (0.57) BCHEACHETSHRPDE4DLMNA
SCHEMBL4736586 0.72 BACE1 (0.45) LMNA

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
US-8173662-B2 Fused pyrimidines as inhibitors of nucleoside phosphorylases and nucleosidases INDUSTRIAL RESEARCH LIMITED (NZ) 2012-05-08 US disclosed
US-20090239885-A1 Inhibitors of nucleoside phoshorylases and nucleosidases BIOCRYST PHARMACEUTICALS, INC. 2009-09-24 US disclosed
US-7553839-B2 5h-pyrrolo[3,2-D] pyrimidine inhibitors of nucleoside phosphorylases and nucleosidases INDUSTRIAL RESEARCH LIMITED (NZ) 2009-06-30 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 (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-20090239885-A1 Inhibitors of nucleoside phoshorylases and nucleosidases PNP, MTAP, TYMP BCHE 698/4885ACHE 1253/4885CTSL 741/4885

“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.