SCHEMBL6054139

SCHEMBL6054139

Cc1ncc(COP(=O)(O)O)c(C(=O)O)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.63
PTGS1 P23219 1/20 0.63
ACP1 P24666 1/20 0.63
PDE4A P27815 1/20 0.63
P2RX1 P51575 1/20 0.63
P2RX2 Q9UBL9 1/20 0.63
PNPO Q9NVS9 1/20 0.61
SGPL1 O95470 2/20 0.40
YWHAG P61981 1/20 0.38
YWHAZ P63104 1/20 0.38
P2RX7 Q99572 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
AOX1 Q06278 1/20 0.37
TRIM24 O15164 1/20 0.36

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
SCHEMBL12727925 0.82 ESR1 (0.69) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL30413789 0.82 ESR1 (0.69) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL15387271 0.79 PNPO (0.68) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL10906026 0.79 ESR1 (0.66) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL20323319 0.79 ESR1 (0.66) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL29384180 0.78 ESR1 (0.64) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL43880 0.78 ESR1 (0.64) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL13176882 0.78 ESR1 (0.64) ESR1PTGS1ACP1PDE4AP2RX1
Pyridoxamine Phosphate Anhydrous SCHEMBL43832 0.77 ESR1 (0.63) ESR1PTGS1ACP1PDE4AP2RX1
Pyridoxal Phosphate Anhydrous SCHEMBL23158 0.77 P2RX2 (1.00) ESR1PTGS1ACP1PDE4AP2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030146-B2 Methods for treating diabetic neuropathy UNIVERSITY OF SOUTH CAROLINA (US) 2006-04-18 US disclosed
US-20030181492-A1 Methods for inhibiting diabetic complications UNIVERSITY OF SOUTH CAROLINA 2003-09-25 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-20030181492-A1 Methods for inhibiting diabetic complications AGER, NOX4, NOX1 ESR1 3597/4885PTGS1 369/4885ACP1 266/4885

“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.