SCHEMBL22967367

SCHEMBL22967367

Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)c2c(=O)[nH]1

nearest known ligand 0.93

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GART P22102 11/20 0.93
FOLR1 P15328 7/20 0.93
SLC46A1 Q96NT5 7/20 0.93
SLC19A1 P41440 6/20 0.93
TYMS P04818 5/20 0.93
DHFR P00374 4/20 0.93
FOLR2 P14207 3/20 0.93
ATIC P31939 2/20 0.93
SHMT1 P34896 1/20 0.93
FRK P42685 1/20 0.93

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
SCHEMBL29941201 1.00 GART (0.93) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL22967345 1.00 GART (0.93) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL22967346 1.00 GART (0.93) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL15078815 1.00 GART (0.93) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL29710616 1.00 GART (0.93) GARTFOLR1SLC46A1SLC19A1TYMS
Pemetrexed SCHEMBL209720 0.97 GART (1.00) GARTFOLR1SLC46A1SLC19A1TYMS
Pemetrexed SCHEMBL5959741 0.97 GART (1.00) GARTFOLR1SLC46A1SLC19A1TYMS
Pemetrexed SCHEMBL7144918 0.97 GART (1.00) GARTFOLR1SLC46A1SLC19A1TYMS
Pemetrexed SCHEMBL1933381 0.96 GART (0.98) GARTFOLR1SLC46A1SLC19A1TYMS
Pemetrexed SCHEMBL14321276 0.96 GART (0.98) GARTFOLR1SLC46A1SLC19A1TYMS

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-20230000997-A1 PROCESSES OF PREPARING POLYGLUTAMATED ANTIFOLATES AND USES OF THEIR COMPOSITIONS L.E.A.F. HOLDINGS GROUP LLC 2023-01-05 US disclosed
WO-2021026310-A1 PROCESSES OF PREPARING POLYGLUTAMATED ANTIFOLATES AND USES OF THEIR COMPOSITIONS L.E.A.F. HOLDINGS GROUP LLC (US) 2021-02-11 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 (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-20230000997-A1 PROCESSES OF PREPARING POLYGLUTAMATED ANTIFOLATES AND USES OF THEIR COMPOSITIONS FPGS, ALG1, PHOSPHO1 GART 377/4885FOLR1 32/4885SLC46A1 101/4885

“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.