SCHEMBL27332985

SCHEMBL27332985

C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)C(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ MDM4 O15151 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ MDM2 Q00987 1/20 0.44

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
SCHEMBL22144906 1.00 CASP3 (0.47) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL17922696 1.00 CASP3 (0.47) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL17922695 1.00 CASP3 (0.47) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29813316 1.00 CASP3 (0.47) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL17922693 1.00 CASP3 (0.47) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL31488504 1.00 CASP3 (0.47) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30877991 1.00 CASP3 (0.47) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30406812 1.00 CASP3 (0.47) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL31149057 0.95 CASP3 (0.50) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL19134428 0.95 CASP3 (0.50) CASP3KMT2AMDM4TP53EPHX2

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-20240207425-A1 AURISTATIN LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 — — US disclosed
US-20240208987-A1 EXATECAN-DERIVED ADC LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 — — 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-20240208987-A1 EXATECAN-DERIVED ADC LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF ADCY3, ADCY8, ADCY7 CASP3 407/4885KMT2A 1105/4885MDM4 3859/4885
US-20240207425-A1 AURISTATIN LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF AURKA, AURKC, AURKB CASP3 933/4885KMT2A 2192/4885MDM4 2332/4885

“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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