SCHEMBL12947601

SCHEMBL12947601

CC(CCC=O)NC(=O)c1ccc(NCC2CNc3nc(N)[nH]c(=O)c3N2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOST Q9BQB4 1/20 0.69
▸ FPGS Q05932 2/20 0.69
▸ GART P22102 3/20 0.51
▸ NOS1 P29475 6/20 0.51
▸ NOS3 P29474 1/20 0.51
▸ NOS2 P35228 1/20 0.51
▸ DHFR P00374 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ MTHFD1 P11586 1/20 0.44
▸ ATIC P31939 1/20 0.44
▸ USP2 O75604 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 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
SCHEMBL13107427 0.92 SOST (0.71) SOSTFPGSGARTNOS1NOS3
SCHEMBL13181207 0.91 SOST (0.69) SOSTFPGSGARTNOS1NOS3
SCHEMBL14113468 0.86 SOST (0.69) SOSTFPGSGARTNOS1NOS3
SCHEMBL3953439 0.83 SOST (0.78) SOSTFPGSGARTNOS1NOS3
SCHEMBL15121249 0.83 SOST (0.78) SOSTFPGSGARTNOS1NOS3
SCHEMBL716106 0.83 SOST (0.78) SOSTFPGSGARTNOS1NOS3
SCHEMBL50298 0.83 SOST (0.78) SOSTFPGSGARTNOS1NOS3
Tetrahydrofolate SCHEMBL4280854 0.83 SOST (0.94) SOSTFPGSGARTDHFRMTHFD1
SCHEMBL28469783 0.82 SOST (0.77) SOSTFPGSGARTNOS1NOS3
SCHEMBL27708884 0.82 SOST (0.77) SOSTFPGSGARTNOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875716-B2 Such as n-[4-[[2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]pseudoglutamic ester; synthesis; efficacy; reduced renal toxicity and other adverse side effects; cancer STOICESCU DAN 2011-01-25 — — US disclosed
US-20100249141-A1 NOVEL INHIBITORS OF FOLIC ACID-DEPENDENT ENZYMES STOICESCU DAN 2010-09-30 — — US disclosed
US-7718660-B2 Inhibitors of folic acid-dependent enzymes STOICESCU DAN 2010-05-18 — — US disclosed
US-20080214550-A1 Novel inhibitors of folic acid-dependent enzymes STOICESCU DAN 2008-09-04 — — 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 (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-20100249141-A1 NOVEL INHIBITORS OF FOLIC ACID-DEPENDENT ENZYMES FOLR2, FOLR1, DHFR SOST 2725/4885FPGS 67/4885GART 171/4885
US-20080214550-A1 Novel inhibitors of folic acid-dependent enzymes FOLR2, FOLR1, DHFR SOST 2747/4885FPGS 64/4885GART 190/4885

“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.

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