SCHEMBL25730829

SCHEMBL25730829

COC(=O)[C@H](CCCNC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1-c1nnn[nH]1)NC(=O)c1ccc(COc2cnc3nc(N)nc(N)c3n2)cc1O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.32
▸ MAPT P10636 4/20 0.32
▸ TDP1 Q9NUW8 4/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ DHFR P00374 1/20 0.31
▸ NPSR1 Q6W5P4 3/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL25730826 0.92 DHFR (0.34) KDM4EMAPTTDP1GLAGAA
SCHEMBL30492198 0.92 DHFR (0.34) KDM4EMAPTTDP1GLAGAA
SCHEMBL25168406 0.88 DHFR (0.39) DHFR
SCHEMBL30492199 0.88 DHFR (0.39) DHFR
SCHEMBL25296821 0.88 DHFR (0.39) DHFR
SCHEMBL25730830 0.88 FAP (0.34) —
SCHEMBL29578204 0.80 DHFR (0.41) DHFR
SCHEMBL30400753 0.79 — —
SCHEMBL30492186 0.79 KDM4E (0.30) KDM4EMAPTTDP1NPSR1KMT2A
SCHEMBL25730734 0.79 — —

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 KDM4E 2050/4885MAPT 1806/4885TDP1 3098/4885

“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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