SCHEMBL15078861

SCHEMBL15078861

COC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1

nearest known ligand 0.84

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GART P22102 10/20 0.84
▸ FOLR1 P15328 7/20 0.84
▸ SLC46A1 Q96NT5 7/20 0.84
▸ TYMS P04818 6/20 0.84
▸ SLC19A1 P41440 6/20 0.84
▸ DHFR P00374 4/20 0.84
▸ FOLR2 P14207 3/20 0.84
▸ ATIC P31939 2/20 0.84
▸ SHMT1 P34896 1/20 0.84
▸ FRK P42685 1/20 0.84

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
SCHEMBL8855178 0.93 TYMS (0.73) GARTFOLR1SLC46A1TYMSSLC19A1
SCHEMBL8855175 0.93 TYMS (0.73) GARTFOLR1SLC46A1TYMSSLC19A1
SCHEMBL24142133 0.92 GART (0.79) GARTFOLR1SLC46A1TYMSSLC19A1
SCHEMBL25498348 0.92 GART (0.79) GARTFOLR1SLC46A1TYMSSLC19A1
SCHEMBL19758225 0.91 GART (0.87) GARTFOLR1SLC46A1TYMSSLC19A1
Pemetrexed SCHEMBL7144918 0.91 GART (1.00) GARTFOLR1SLC46A1TYMSSLC19A1
Pemetrexed SCHEMBL5959741 0.91 GART (1.00) GARTFOLR1SLC46A1TYMSSLC19A1
Pemetrexed SCHEMBL209720 0.91 GART (1.00) GARTFOLR1SLC46A1TYMSSLC19A1
SCHEMBL24413672 0.91 GART (0.85) GARTFOLR1SLC46A1TYMSSLC19A1
SCHEMBL18689788 0.91 GART (0.88) GARTFOLR1SLC46A1TYMSSLC19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165654-A1 PROCESSES FOR PREPARING PEMETREXED DR. REDDY'S LABORATORIES, INC. (US) 2013-06-27 — — 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-20130165654-A1 PROCESSES FOR PREPARING PEMETREXED TYMP, TYMS, DPYD GART 144/4885FOLR1 62/4885SLC46A1 126/4885

“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.

Send feedback