SCHEMBL2756063

SCHEMBL2756063

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 7/20 0.48
▸ TYMS P04818 6/20 0.48
▸ GART P22102 5/20 0.48
▸ ATIC P31939 2/20 0.48
▸ FOLR2 P14207 1/20 0.48
▸ FOLR1 P15328 1/20 0.48
▸ SHMT1 P34896 1/20 0.48
▸ SLC19A1 P41440 1/20 0.48
▸ FRK P42685 1/20 0.48
▸ SLC46A1 Q96NT5 1/20 0.48

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
SCHEMBL12370806 0.92 DHFR (0.50) DHFRTYMSGARTATICFOLR2
SCHEMBL27835031 0.88 DHFR (0.57) DHFRTYMSGARTATICFOLR2
SCHEMBL371409 0.88 DHFR (0.57) DHFRTYMSGARTATICFOLR2
SCHEMBL13003773 0.88 GART (0.51) DHFRTYMSGARTATICFOLR2
SCHEMBL1236538 0.82 TYMS (0.56) DHFRTYMSGARTATICFOLR2
SCHEMBL19623246 0.82 TYMS (0.56) DHFRTYMSGARTATICFOLR2
SCHEMBL207059 0.81 TYMS (0.50) DHFRTYMSGARTATICFOLR2
SCHEMBL12238847 0.80 TYMS (0.63) DHFRTYMSGARTATICFOLR2
SCHEMBL23544600 0.79 GART (0.65) DHFRTYMSGARTATICFOLR2
SCHEMBL19623252 0.79 GART (0.65) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088919-B2 Crystalline forms of pemetrexed diacid and processes for the preparation thereof SICOR INC. (US) 2012-01-03 — — US disclosed
EP-2322526-A1 Crystalline form of pemetrexed diacid and process for the preparation thereof Sicor, Inc. (US) 2011-05-18 — — EP disclosed
EP-2311838-A1 Crystalline form of pemetrexed diacid and process for the preparation thereof Sicor, Inc. (US) 2011-04-20 — — EP disclosed
EP-2305681-A1 Crystalline form of pemetrexed diacid and process for the preparation thereof Sicor, Inc. (US) 2011-04-06 — — EP disclosed
EP-2270013-A1 Crystalline form of pemetrexed diacid and process for the preparation thereof Sicor, Inc. (US) 2011-01-05 — — EP disclosed
EP-2270012-A1 Crystalline form of pemetrexed diacid and process for the preparation thereof Sicor, Inc. (US) 2011-01-05 — — EP disclosed
WO-2008021405-A1 CRYSTALLINE FORMS OF PEMETREXED DIACID AND PROCESSES FOR THE PREPARATION THEREOF SICOR INC. (US) 2008-02-21 — — WO disclosed
US-20080045711-A1 Crystalline forms of pemetrexed diacid and processes for the preparation thereof ASSIA CHEMICAL INDUSTRIES LTD. (IL) 2008-02-21 — — 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-20080045711-A1 Crystalline forms of pemetrexed diacid and processes for the preparation thereof DCTD, DPYD, TYMP DHFR 6/4885TYMS 9/4885GART 37/4885

“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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