SCHEMBL18466013

SCHEMBL18466013

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GART P22102 10/20 0.49
▸ DHFR P00374 7/20 0.49
▸ TYMS P04818 6/20 0.49
▸ FOLR2 P14207 4/20 0.49
▸ FOLR1 P15328 4/20 0.49
▸ ATIC P31939 3/20 0.49
▸ SLC46A1 Q96NT5 3/20 0.49
▸ SLC19A1 P41440 2/20 0.49
▸ SHMT1 P34896 1/20 0.49
▸ FRK P42685 1/20 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
SCHEMBL12370807 0.91 GART (0.59) GARTDHFRTYMSFOLR2FOLR1
SCHEMBL17776089 0.84 GART (0.66) GARTDHFRTYMSFOLR2FOLR1
SCHEMBL13972567 0.84 TYMS (0.48) GARTDHFRTYMSFOLR2FOLR1
SCHEMBL13006994 0.81 GART (0.59) GARTDHFRTYMSFOLR2FOLR1
Pemetrexed SCHEMBL572065 0.81 GART (0.73) GARTDHFRTYMSFOLR2FOLR1
SCHEMBL16480175 0.80 GART (0.61) GARTDHFRTYMSFOLR2FOLR1
SCHEMBL27835031 0.79 DHFR (0.57) GARTDHFRTYMSFOLR2FOLR1
SCHEMBL371409 0.79 DHFR (0.57) GARTDHFRTYMSFOLR2FOLR1
SCHEMBL13003773 0.79 GART (0.51) GARTDHFRTYMSFOLR2FOLR1
SCHEMBL23544600 0.79 GART (0.65) GARTDHFRTYMSFOLR2FOLR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718829-B2 Crystalline forms of pemetrexed diacid and processes for the preparation thereof SICOR INC. (US) 2017-08-01 — — US disclosed
US-20170129900-A1 Crystalline Forms Of Pemetrexed Diacid And Processes For The Preparation Thereof ASSIA CHEMICAL INDUSTRIES LTD. (IL) 2017-05-11 — — US disclosed
US-9562050-B2 Crystalline forms of pemetrexed diacid and processes for the preparation thereof SICOR, INC. (US) 2017-02-07 — — 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-20170129900-A1 Crystalline Forms Of Pemetrexed Diacid And Processes For The Preparation Thereof DCTD, DPYD, DHFR GART 34/4885DHFR 3/4885TYMS 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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