SCHEMBL27994239

SCHEMBL27994239

Cn1c(N)nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c21

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 8/20 0.66
▸ TYMS P04818 6/20 0.66
▸ GART P22102 7/20 0.65
▸ ATIC P31939 4/20 0.65
▸ FOLR2 P14207 3/20 0.65
▸ FOLR1 P15328 3/20 0.65
▸ SLC46A1 Q96NT5 3/20 0.65
▸ SHMT1 P34896 3/20 0.65
▸ SLC19A1 P41440 2/20 0.65
▸ FRK P42685 1/20 0.65
▸ SHMT2 P34897 2/20 0.49

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
SCHEMBL27994242 1.00 DHFR (0.66) DHFRTYMSGARTATICFOLR2
SCHEMBL10124232 0.90 DHFR (0.64) DHFRTYMSGARTATICFOLR2
SCHEMBL10109251 0.89 DHFR (0.63) DHFRTYMSGARTATICFOLR2
SCHEMBL17794005 0.87 DHFR (0.72) DHFRTYMSGARTATICFOLR2
Pemetrexed SCHEMBL6034765 0.82 GART (0.77) DHFRTYMSGARTATICFOLR2
Pemetrexed SCHEMBL2549428 0.82 GART (0.77) DHFRTYMSGARTATICFOLR2
Pemetrexed SCHEMBL7968 0.82 GART (0.77) DHFRTYMSGARTATICFOLR2
Pemetrexed SCHEMBL7969 0.82 GART (0.77) DHFRTYMSGARTATICFOLR2
Pemetrexed SCHEMBL124663 0.82 GART (0.76) DHFRTYMSGARTATICFOLR2
Pemetrexed SCHEMBL124673 0.82 GART (0.76) DHFRTYMSGARTATICFOLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197226-A Preparation method of pemetrexed impurity 山东新时代药业有限公司 2022-10-18 — — CN claimed
US-11931362-B2 Stable pharmaceutical formulations of pemetrexed CIPLA LIMITED (IN) 2024-03-19 — — US disclosed
EP-4294365-A1 USE OF A PEMETREXED CONCENTRATE SOLUTION STADA ARZNEIMITTEL AG (DE) 2023-12-27 — — EP disclosed
CN-115197226-A Preparation method of pemetrexed impurity 山东新时代药业有限公司 2022-10-18 — — CN disclosed
CN-115197226-A Preparation method of pemetrexed impurity 山东新时代药业有限公司 2022-10-18 — — CN disclosed
CN-115197226-A Preparation method of pemetrexed impurity 山东新时代药业有限公司 2022-10-18 — — CN disclosed
WO-2022175463-A1 USE OF A PEMETREXED CONCENTRATE SOLUTION STADA ARZNEIMITTEL AG (DE) 2022-08-25 — — WO disclosed
EP-4046626-A1 USE OF A PEMETREXED CONCENTRATE SOLUTION STADA Arzneimittel AG (DE) 2022-08-24 — — EP disclosed
CN-104292232-A Synthesis method for intermediate of impurity A of pemetrexed disodium SHANDONG BOYUAN PHARMACEUTICAL CO LTD 2015-01-21 — — CN 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-11931362-B2 Stable pharmaceutical formulations of pemetrexed SLC5A6, MTHFD1, DPYD DHFR 25/4885TYMS 6/4885GART 179/4885

“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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