SCHEMBL25904644

SCHEMBL25904644

Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)O)s3)ccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMS P04818 9/20 0.65
DHFR P00374 1/20 0.65
FOLR2 P14207 1/20 0.65
FOLR1 P15328 1/20 0.65
SLC19A1 P41440 1/20 0.65
EHMT2 Q96KQ7 1/20 0.65
SLC46A1 Q96NT5 1/20 0.65

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
SCHEMBL22104584 0.91 TYMS (0.67) TYMSDHFRFOLR2FOLR1SLC19A1
Raltitrexed SCHEMBL7439 0.91 TYMS (0.78) TYMSDHFRFOLR2FOLR1SLC19A1
Raltitrexed SCHEMBL16766843 0.91 TYMS (0.78) TYMSDHFRFOLR2FOLR1SLC19A1
Raltitrexed SCHEMBL29454789 0.91 TYMS (0.78) TYMSDHFRFOLR2FOLR1SLC19A1
SCHEMBL3274944 0.90 TYMS (0.70) TYMSDHFRFOLR2FOLR1SLC19A1
SCHEMBL16366393 0.89 TYMS (0.67) TYMSDHFRFOLR2FOLR1SLC19A1
SCHEMBL16366259 0.87 TYMS (0.65) TYMSDHFRFOLR2FOLR1SLC19A1
Raltitrexed SCHEMBL28116774 0.87 TYMS (0.72) TYMSDHFRFOLR2FOLR1SLC19A1
Raltitrexed SCHEMBL4954885 0.86 TYMS (0.88) TYMSDHFRFOLR2FOLR1SLC19A1
SCHEMBL29677618 0.83 TYMS (0.57) TYMSDHFRFOLR2FOLR1SLC19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230279426-A1 MODIFIED VIRAL COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-09-07 US disclosed
US-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-07-20 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 (2 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-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION HAVCR2, FCGR3B, FCGR2A TYMS 1616/4885DHFR 2599/4885FOLR2 295/4885
US-20230279426-A1 MODIFIED VIRAL COMPOSITIONS FOR VIRAL TRANSDUCTION HAVCR2, ASGR1, FCGR3B TYMS 2995/4885DHFR 4085/4885FOLR2 525/4885

“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.