SCHEMBL25725402

SCHEMBL25725402

COC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])s1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 8/20 0.44
▸ ATM Q13315 2/20 0.44
▸ MAPT P10636 6/20 0.43
▸ NPSR1 Q6W5P4 7/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ POLB P06746 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL25253835 0.91 MEN1 (0.46) TDP1ATMMAPTNPSR1KMT2A
SCHEMBL24344785 0.85 TDP1 (0.48) TDP1ATMMAPTNPSR1KMT2A
SCHEMBL24344793 0.83 TDP1 (0.46) TDP1ATMMAPTNPSR1KMT2A
SCHEMBL14090944 0.79 C3AR1 (0.52) TDP1ATMMAPTNPSR1KMT2A
SCHEMBL14090946 0.79 C3AR1 (0.47) TDP1ATMMAPTNPSR1KMT2A
SCHEMBL24343400 0.77 CA1 (0.51) TDP1ATMMAPTNPSR1KMT2A
SCHEMBL7538486 0.76 TDP1 (0.48) TDP1ATMMAPTNPSR1KMT2A
SCHEMBL7541966 0.76 TDP1 (0.48) TDP1ATMMAPTNPSR1KMT2A
SCHEMBL25297664 0.76 MEN1 (0.51) TDP1ATMMAPTNPSR1KMT2A
SCHEMBL25297663 0.76 MEN1 (0.51) TDP1ATMMAPTNPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118613484-A Antifolate linker-drug and antibody-drug conjugates 拜奥迪斯私人有限公司 2024-09-06 — — CN disclosed
US-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-05-11 — — US disclosed
US-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-05-11 — — US disclosed
US-20220119392-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2022-04-21 — — 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-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 TDP1 3098/4885ATM 3712/4885MAPT 1806/4885
US-20220119392-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 TDP1 3098/4885ATM 3712/4885MAPT 1806/4885

“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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