SCHEMBL24845716

SCHEMBL24845716

CC(C)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.57
TYMS P04818 8/20 0.56
FOLR1 P15328 2/20 0.56
SLC19A1 P41440 2/20 0.56
SLC46A1 Q96NT5 2/20 0.56
DHFR P00374 2/20 0.56
FOLR2 P14207 1/20 0.56
GART P22102 1/20 0.56
ATIC P31939 1/20 0.56
SHMT1 P34896 1/20 0.56
FRK P42685 1/20 0.56

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
SCHEMBL12238856 0.86 TYMS (0.57) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL25476851 0.85 TYMS (0.64) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL22967337 0.84 TYMS (0.59) PNPTYMSFOLR1SLC19A1SLC46A1
SCHEMBL24845712 0.83 TYMS (0.56) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL13659935 0.82 TYMS (0.63) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL18755599 0.82 TYMS (0.55) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL18551642 0.81 TYMS (0.64) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL2261493 0.81 TYMS (0.55) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL2260428 0.81 TYMS (0.69) TYMSFOLR1SLC19A1SLC46A1DHFR
SCHEMBL25899206 0.81 PNP (0.51) PNPTYMSFOLR1SLC19A1SLC46A1

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-20230000997-A1 PROCESSES OF PREPARING POLYGLUTAMATED ANTIFOLATES AND USES OF THEIR COMPOSITIONS L.E.A.F. HOLDINGS GROUP LLC 2023-01-05 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-20230000997-A1 PROCESSES OF PREPARING POLYGLUTAMATED ANTIFOLATES AND USES OF THEIR COMPOSITIONS FPGS, ALG1, PHOSPHO1 PNP 1740/4885TYMS 70/4885FOLR1 32/4885

“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.