SCHEMBL27206385

SCHEMBL27206385

CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C(=O)O)C(F)F

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.46
▸ MDM4 O15151 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ KMT2A Q03164 2/20 0.43
▸ EPHX2 P34913 1/20 0.41

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
SCHEMBL27192645 1.00 CASP3 (0.46) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL32669193 0.87 CASP3 (0.52) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL6749693 0.81 MDM4 (0.51) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL30878000 0.80 CASP3 (0.53) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL22144908 0.80 CASP3 (0.53) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL1667845 0.80 CASP3 (0.53) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL14761328 0.80 KMT2A (0.50) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL30186613 0.80 CASP3 (0.53) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL16003177 0.80 CASP3 (0.53) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL14407149 0.80 CASP3 (0.53) CASP3MDM4TP53KMT2AEPHX2

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-20240116945-A1 EXATECAN-DERIVED TOPOISOMERASE-1 INHIBITORS PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-04-11 — — US disclosed
WO-2024049931-A1 EXATECAN-DERIVED TOPOISOMERASE-1 INHIBITORS PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-03-07 — — WO 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-20240116945-A1 EXATECAN-DERIVED TOPOISOMERASE-1 INHIBITORS PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF TOP1, TOP2A, TOP2B CASP3 215/4885MDM4 3321/4885TP53 39/4885

“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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