SCHEMBL13006994

SCHEMBL13006994

COO[C@H](CCC(=O)O)NC(=O)c1ccc(CCc2c[nH]c3[nH]c(N)nc(=O)c23)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GART P22102 9/20 0.59
▸ DHFR P00374 7/20 0.59
▸ TYMS P04818 6/20 0.59
▸ FOLR1 P15328 4/20 0.59
▸ SLC46A1 Q96NT5 4/20 0.59
▸ FOLR2 P14207 3/20 0.59
▸ SLC19A1 P41440 3/20 0.59
▸ ATIC P31939 2/20 0.59
▸ SHMT1 P34896 1/20 0.59
▸ FRK P42685 1/20 0.59

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
SCHEMBL13972567 0.89 TYMS (0.48) GARTDHFRTYMSFOLR1SLC46A1
SCHEMBL12370807 0.89 GART (0.59) GARTDHFRTYMSFOLR1SLC46A1
SCHEMBL23544600 0.88 GART (0.65) GARTDHFRTYMSFOLR1SLC46A1
SCHEMBL19623252 0.88 GART (0.65) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL2464756 0.88 GART (0.72) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL6034765 0.86 GART (0.77) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL2549428 0.86 GART (0.77) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL7968 0.86 GART (0.77) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL7969 0.86 GART (0.77) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL15468017 0.86 GART (0.70) GARTDHFRTYMSFOLR1SLC46A1

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
EP-1943252-B1 PROCESSES FOR THE PREPARATION OF LYOPHILIZED PHARMACEUTICALLY ACCEPTABLE SALTS OF PEMETREXED DIACID SICOR INC (US) 2010-12-22 — — EP disclosed
US-20080139810-A1 Processes for the preparation of lyophilized pharmaceutically acceptable salts of pemetrexed diacid ASSIA CHEMICAL INDUSTRIES LTD. (IL) 2008-06-12 — — 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-20080139810-A1 Processes for the preparation of lyophilized pharmaceutically acceptable salts of pemetrexed diacid DCTD, DPYD, PDCD2L GART 77/4885DHFR 19/4885TYMS 7/4885

“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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