SCHEMBL24849417

SCHEMBL24849417

COC(=O)c1cc(C(=O)O)ncc1Nc1ccc(S(C)(C)C)cc1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.42
▸ ASPH Q12797 10/20 0.42
▸ KDM8 Q8N371 9/20 0.42
▸ RIOX2 Q8IUF8 7/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ DHODH Q02127 4/20 0.36
▸ CA9 Q16790 1/20 0.34
▸ MAP2K1 Q02750 1/20 0.34

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
SCHEMBL24849394 0.87 DHODH (0.36) KDM4EMAPK1L3MBTL1CA1CA2
SCHEMBL24848943 0.84 DHODH (0.34) KDM4EMAPK1CA1CA2DHODH
SCHEMBL24848964 0.84 DHODH (0.36) MAPK1CA1CA2DHODHCA9
SCHEMBL24849669 0.84 DHODH (0.36) KDM4EMAPK1CA1CA2DHODH
SCHEMBL29425395 0.83 KDM4E (0.43) KDM4EASPHKDM8RIOX2MAPK1
SCHEMBL23673984 0.83 KDM4E (0.43) KDM4EASPHKDM8RIOX2MAPK1
SCHEMBL24849644 0.76 NUDT1 (0.33) CA1CA2DHODHMAP2K1
SCHEMBL24195914 0.73 LMNA (0.38) KDM4EMAPK1CA1CA2CA9
SCHEMBL24196100 0.73 KEAP1 (0.36) KDM4EMAPK1CA1CA2CA9
SCHEMBL24196097 0.70 MAP2K1 (0.37) KDM4ECA1CA2CA9MAP2K1

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-20230270730-A1 COMPOSITION CONTAINING ARYLAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-08-31 — — US disclosed
US-20230002333-A1 ARYLAMIDE DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-01-05 — — 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-20230270730-A1 COMPOSITION CONTAINING ARYLAMIDE DERIVATIVE BRAF, NRAS, KRAS KDM4E 597/4885ASPH 2545/4885KDM8 802/4885
US-20230002333-A1 ARYLAMIDE DERIVATIVE HAVING ANTITUMOR ACTIVITY BRAF, NRAS, KRAS KDM4E 1507/4885ASPH 3738/4885KDM8 1391/4885

“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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