SCHEMBL23732323

SCHEMBL23732323

CC(C)Cc1cnc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FOLR2 P14207 1/20 0.54
▸ FOLR1 P15328 1/20 0.54
▸ GART P22102 1/20 0.54
▸ SLC19A1 P41440 1/20 0.54
▸ SLC46A1 Q96NT5 1/20 0.54
▸ FPR2 P25090 3/20 0.50
▸ MTHFD1 P11586 1/20 0.49
▸ MTHFD2 P13995 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ FOLH1 Q04609 6/20 0.42
▸ NAALAD2 Q9Y3Q0 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ DHFR P00374 1/20 0.41

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
SCHEMBL18551660 0.89 FOLR2 (0.55) FOLR2FOLR1GARTSLC19A1SLC46A1
SCHEMBL23005217 0.82 FPR2 (0.57) FOLR2FOLR1GARTSLC19A1SLC46A1
SCHEMBL23005214 0.82 FPR2 (0.57) FOLR2FOLR1GARTSLC19A1SLC46A1
SCHEMBL23005175 0.76 FPR2 (0.63) FOLR2FOLR1GARTSLC19A1SLC46A1
SCHEMBL23005176 0.76 FPR2 (0.63) FOLR2FOLR1GARTSLC19A1SLC46A1
SCHEMBL23005246 0.76 FPR2 (0.56) FOLR2FOLR1GARTSLC19A1SLC46A1
SCHEMBL23005243 0.76 FPR2 (0.56) FOLR2FOLR1GARTSLC19A1SLC46A1
SCHEMBL18540790 0.73 GART (0.91) FOLR2FOLR1GARTSLC19A1SLC46A1
SCHEMBL23005200 0.72 FPR2 (0.56) FOLR2FOLR1GARTSLC19A1SLC46A1
SCHEMBL23005199 0.72 FPR2 (0.56) FOLR2FOLR1GARTSLC19A1SLC46A1

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-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-08-03 — — 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-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DPYD, TYMS, THPO FOLR2 83/4885FOLR1 54/4885GART 53/4885

“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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