SCHEMBL25730677

SCHEMBL25730677

COC(=O)[C@H](CCCN(C)C(=O)OC(C)(C)C)NC(=O)c1ccc(CCc2ccc3nc(N)nc(N)c3c2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 7/20 0.39
▸ TYMS P04818 1/20 0.36
▸ FPGS Q05932 1/20 0.35

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
SCHEMBL25730752 0.91 DHFR (0.39) DHFRTYMSFPGS
SCHEMBL24344221 0.87 DHFR (0.40) DHFR
SCHEMBL25301066 0.80 DHFR (0.48) DHFRTYMSFPGS
SCHEMBL25301067 0.80 DHFR (0.48) DHFRTYMSFPGS
SCHEMBL25725435 0.78 DHFR (0.40) DHFR
SCHEMBL30400568 0.78 DHFR (0.40) DHFR
SCHEMBL24343802 0.76 TDP1 (0.40) DHFR
SCHEMBL31476915 0.76 DHFR (0.56) DHFRTYMS
SCHEMBL24344220 0.73 DHFR (0.35) DHFRTYMSFPGS
SCHEMBL25171613 0.72 DHFR (0.48) DHFRTYMSFPGS

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-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-05-11 — — 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-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 DHFR 1/4885TYMS 39/4885FPGS 13/4885

“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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