SCHEMBL15078816

SCHEMBL15078816

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

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 11/20 0.69
▸ FOLR1 P15328 6/20 0.69
▸ SLC46A1 Q96NT5 6/20 0.69
▸ SLC19A1 P41440 5/20 0.69
▸ DHFR P00374 4/20 0.69
▸ GART P22102 3/20 0.69
▸ FOLR2 P14207 2/20 0.69
▸ ATIC P31939 1/20 0.69
▸ SHMT1 P34896 1/20 0.69
▸ FRK P42685 1/20 0.69

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 0.97 TYMS (0.73) TYMSFOLR1SLC46A1SLC19A1DHFR
SCHEMBL8855175 0.97 TYMS (0.73) TYMSFOLR1SLC46A1SLC19A1DHFR
SCHEMBL15078869 0.94 TYMS (0.69) TYMSFOLR1SLC46A1SLC19A1DHFR
SCHEMBL15078861 0.90 GART (0.84) TYMSFOLR1SLC46A1SLC19A1DHFR
SCHEMBL15078817 0.90 GART (0.84) TYMSFOLR1SLC46A1SLC19A1DHFR
SCHEMBL22967365 0.89 TYMS (0.65) TYMSFOLR1SLC46A1SLC19A1DHFR
SCHEMBL7844331 0.88 TYMS (0.72) TYMSFOLR1SLC46A1SLC19A1DHFR
SCHEMBL15078818 0.88 TYMS (0.72) TYMSFOLR1SLC46A1SLC19A1DHFR
SCHEMBL7844327 0.88 TYMS (0.72) TYMSFOLR1SLC46A1SLC19A1DHFR
SCHEMBL13448780 0.86 TYMS (0.67) TYMSFOLR1SLC46A1SLC19A1DHFR

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 TYMS 2/4885FOLR1 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.

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