SCHEMBL1605463

SCHEMBL1605463

CCC(C)OC(=O)C(CCC(=O)O)NC(=O)c1csc(CCCc2cc3c(=O)[nH]c(N)nc3[nH]2)c1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC46A1 Q96NT5 15/20 0.78
GART P22102 15/20 0.78
FOLR1 P15328 15/20 0.78
FOLR2 P14207 12/20 0.78
SLC19A1 P41440 6/20 0.78
ATIC P31939 2/20 0.60

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
SCHEMBL1604419 0.99 GART (0.78) SLC46A1GARTFOLR1FOLR2SLC19A1
SCHEMBL1605437 0.88 GART (1.00) SLC46A1GARTFOLR1FOLR2SLC19A1
SCHEMBL1605429 0.88 GART (1.00) SLC46A1GARTFOLR1FOLR2SLC19A1
SCHEMBL1604607 0.88 SLC46A1 (0.78) SLC46A1GARTFOLR1FOLR2SLC19A1
SCHEMBL3161202 0.88 FOLR1 (0.78) SLC46A1GARTFOLR1FOLR2SLC19A1
SCHEMBL1604546 0.86 FOLR1 (0.58) SLC46A1GARTFOLR1FOLR2SLC19A1
SCHEMBL1603940 0.86 GART (1.00) SLC46A1GARTFOLR1FOLR2SLC19A1
SCHEMBL1603944 0.86 GART (1.00) SLC46A1GARTFOLR1FOLR2SLC19A1
SCHEMBL3159773 0.86 FOLR1 (0.78) SLC46A1GARTFOLR1FOLR2SLC19A1
SCHEMBL1604709 0.86 GART (0.78) SLC46A1GARTFOLR1FOLR2SLC19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110082158-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE AND/OR OTHER FOLATE METABOLIZING ENZYMES INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-04-07 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-20110082158-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE AND/OR OTHER FOLATE METABOLIZING ENZYMES INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME SLC46A1, FOLR2, FOLR1 SLC46A1 1/4885GART 22/4885FOLR1 3/4885

“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.