SCHEMBL6900347

SCHEMBL6900347

Cc1cc(N[C@@H](CCC(=O)O)C(=O)O)sc1CC[C@@H]1CNc2nc(N)[nH]c(=O)c2C1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GART P22102 13/20 0.61
FOLR1 P15328 3/20 0.58
ATIC P31939 3/20 0.48
SOST Q9BQB4 1/20 0.42
MTHFD1 P11586 1/20 0.41

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
SCHEMBL6899022 1.00 GART (0.61) GARTFOLR1ATICSOSTMTHFD1
SCHEMBL6899009 1.00 GART (0.61) GARTFOLR1ATICSOSTMTHFD1
SCHEMBL7834566 0.95 GART (0.55) GARTFOLR1ATICSOSTMTHFD1
Pelitrexol SCHEMBL26910492 0.89 GART (0.74) GARTFOLR1ATICSOSTMTHFD1
Pelitrexol SCHEMBL13927981 0.89 GART (0.74) GARTFOLR1ATICSOSTMTHFD1
Pelitrexol SCHEMBL13916067 0.89 GART (0.74) GARTFOLR1ATICSOSTMTHFD1
SCHEMBL6900553 0.87 GART (0.47) GARTFOLR1ATIC
SCHEMBL7145433 0.85 GART (0.80) GARTFOLR1ATICSOSTMTHFD1
SCHEMBL7745908 0.78 GART (0.75) GARTFOLR1ATIC
Lometrexol SCHEMBL17520098 0.76 GART (1.00) GARTATICSOSTMTHFD1

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
US-20040152753-A1 Methods of use for novel sulfur containing organic nitrate compounds NITROMED, INC. 2004-08-05 US claimed
EP-1482977-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2004-12-08 EP disclosed
US-20040152753-A1 Methods of use for novel sulfur containing organic nitrate compounds NITROMED, INC. 2004-08-05 US disclosed
US-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells AGOURON PHARMACEUTICALS INC. 2004-03-04 US disclosed
WO-2003074083-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2003-09-12 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 (2 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-20040152753-A1 Methods of use for novel sulfur containing organic nitrate compounds PTGS2, NOS2, PTGS1 GART 3413/4885FOLR1 3817/4885ATIC 1542/4885
US-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells APRT, MTAP, TYMP GART 4/4885FOLR1 343/4885ATIC 98/4885

“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.