SCHEMBL4540279

SCHEMBL4540279

CC(=O)OCC(CCC(=O)O)NC(=O)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 10/20 0.72
▸ FOLR1 P15328 7/20 0.72
▸ SLC46A1 Q96NT5 7/20 0.72
▸ SLC19A1 P41440 6/20 0.72
▸ GART P22102 6/20 0.72
▸ DHFR P00374 4/20 0.72
▸ FOLR2 P14207 3/20 0.72
▸ ATIC P31939 2/20 0.72
▸ SHMT1 P34896 1/20 0.72
▸ FRK P42685 1/20 0.72

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
SCHEMBL4540576 1.00 TYMS (0.72) TYMSFOLR1SLC46A1SLC19A1GART
SCHEMBL10270724 0.90 TYMS (0.59) TYMSFOLR1SLC46A1SLC19A1GART
SCHEMBL15078861 0.86 GART (0.84) TYMSFOLR1SLC46A1SLC19A1GART
SCHEMBL19758225 0.86 GART (0.87) TYMSFOLR1SLC46A1SLC19A1GART
SCHEMBL12180576 0.86 TYMS (0.80) TYMSFOLR1SLC46A1SLC19A1GART
Pemetrexed SCHEMBL7144918 0.84 GART (1.00) TYMSFOLR1SLC46A1SLC19A1GART
Pemetrexed SCHEMBL5959741 0.84 GART (1.00) TYMSFOLR1SLC46A1SLC19A1GART
Pemetrexed SCHEMBL209720 0.84 GART (1.00) TYMSFOLR1SLC46A1SLC19A1GART
SCHEMBL13814356 0.84 TYMS (0.74) TYMSFOLR1SLC46A1SLC19A1GART
SCHEMBL12932259 0.84 GART (0.77) TYMSFOLR1SLC46A1SLC19A1GART

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-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 — — US disclosed
EP-2638007-A2 DRUG DERIVATIVES Redx Pharma Limited (GB) 2013-09-18 — — EP disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 — — US disclosed
WO-2012063085-A2 DRUG DERIVATIVES REDX PHARMA LIMITED (GB) 2012-05-18 — — 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-20130225594-A1 DRUG DERIVATIVES SQOR, NQO1, CYP2D6 TYMS 1155/4885FOLR1 2159/4885SLC46A1 911/4885

“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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