SCHEMBL4616964

SCHEMBL4616964

CN1C(CNC2=CCC(C(=O)NC(CCC(=O)O)C(=O)O)C=C2)=CNc2nc(N)[nH]c(=O)c21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MTHFD1 P11586 2/20 0.47
▸ MTHFD2 P13995 2/20 0.46
▸ DHFR P00374 2/20 0.43
▸ GART P22102 8/20 0.41
▸ SOST Q9BQB4 1/20 0.41
▸ ATIC P31939 3/20 0.41
▸ TYMS P04818 1/20 0.39

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
SCHEMBL3195061 0.84 MTHFD1 (0.44) MTHFD1MTHFD2DHFRGARTSOST
SCHEMBL2166341 0.80 MTHFD1 (0.63) MTHFD1MTHFD2DHFRGARTSOST
SCHEMBL17097094 0.80 MTHFD1 (0.63) MTHFD1MTHFD2DHFRGARTSOST
SCHEMBL8406397 0.79 FPGS (0.41) MTHFD1MTHFD2DHFRGARTSOST
SCHEMBL7526552 0.79 GART (0.44) MTHFD1MTHFD2DHFRGARTSOST
SCHEMBL29619286 0.76 TYMS (0.66) DHFRGARTATICTYMS
SCHEMBL5665622 0.76 TYMS (0.66) DHFRGARTATICTYMS
SCHEMBL16085830 0.74 MTHFD1 (0.55) MTHFD1MTHFD2DHFRGARTSOST
SCHEMBL5064786 0.74 DHFR (0.46) MTHFD1MTHFD2DHFRGARTSOST
Folic Acid SCHEMBL8897352 0.71 TYMS (0.80) MTHFD1MTHFD2DHFRGARTSOST

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-20170274002-A1 MULTIPLE FOLATE FORMULATION AND USE THEREOF JAYMAC PHARMACEUTICALS LLC (US) 2017-09-28 — — US disclosed
US-20140073598-A1 MULTIPLE FOLATE FORMULATION AND USE THEREOF JAYMAC PHARMACEUTICALS LLC (US) 2014-03-13 — — US disclosed
EP-1891959-A1 Contraceptive compositions for decrease risk of inborn errors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-02-27 — — EP 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-20140073598-A1 MULTIPLE FOLATE FORMULATION AND USE THEREOF MTHFD1, MTHFD2, FOLR2 MTHFD1 1/4885MTHFD2 2/4885DHFR 6/4885
US-20170274002-A1 MULTIPLE FOLATE FORMULATION AND USE THEREOF MTHFD1, MTHFD2, SLC19A1 MTHFD1 1/4885MTHFD2 2/4885DHFR 6/4885

“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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