SCHEMBL31097655

SCHEMBL31097655

CC(C)(C)OC(=O)[C@H](Cc1ccc(OCC(=O)O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.49
▸ PTPN1 P18031 6/20 0.48
▸ MDM4 O15151 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CASP3 P42574 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
SCHEMBL2307401 0.91 PTPN1 (0.51) PTPN1MDM4TP53MEN1ALDH1A1
SCHEMBL3728097 0.91 PTPN1 (0.51) PTPN1MDM4TP53MEN1ALDH1A1
SCHEMBL3725675 0.91 PTPN1 (0.51) PTPN1MDM4TP53MEN1ALDH1A1
SCHEMBL28741502 0.89 MDM4 (0.52) MDM4TP53CASP3
SCHEMBL28741504 0.89 MDM4 (0.52) MDM4TP53CASP3
SCHEMBL12568250 0.88 CTSS (0.52) PTPN1MDM4TP53CASP3
SCHEMBL12059890 0.88 MDM4 (0.51) PTPN1MDM4TP53CASP3
SCHEMBL12568249 0.88 CTSS (0.52) PTPN1MDM4TP53CASP3
SCHEMBL31097650 0.88 MDM4 (0.51) PTPN1MDM4TP53CASP3
SCHEMBL25266952 0.88 PTPN1 (0.53) HDAC8PTPN1MDM4TP53

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-20240252693-A1 FOLATE RECEPTOR-TARGETED RADIOTHERAPEUTIC AGENTS AND THEIR USE NOVARTIS PHARMACEUTICALS CORPORATION 2024-08-01 — — 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-20240252693-A1 FOLATE RECEPTOR-TARGETED RADIOTHERAPEUTIC AGENTS AND THEIR USE FOLR1, FOLR2, FOLH1 HDAC8 2835/4885PTPN1 3004/4885MDM4 3801/4885

“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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