SCHEMBL344460

SCHEMBL344460

CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.48
▸ MDM4 O15151 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ PTPN1 P18031 4/20 0.42
▸ KMT2A Q03164 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
SCHEMBL13044121 0.90 MDM4 (0.44) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL14286245 0.90 MDM4 (0.44) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL2760583 0.90 MDM4 (0.44) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL13413133 0.88 MDM4 (0.40) CASP3MDM4TP53KMT2A
SCHEMBL800110 0.81 CASP3 (0.56) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL30089356 0.81 CASP3 (0.56) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL10628626 0.81 CASP3 (0.52) CASP3MDM4TP53PTPN1KMT2A
SCHEMBL29398190 0.79 MDM4 (0.48) CASP3MDM4TP53KMT2A
SCHEMBL29117234 0.79 MDM4 (0.48) CASP3MDM4TP53KMT2A
SCHEMBL29979418 0.79 MDM4 (0.48) CASP3MDM4TP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809498-B2 Pepstatin A derivatives FREIE UNIVERSITAET BERLIN (DE) 2014-08-19 — — US disclosed
US-8809498-B2 Pepstatin A derivatives FREIE UNIVERSITAET BERLIN (DE) 2014-08-19 — — US disclosed
US-8809498-B2 Pepstatin A derivatives FREIE UNIVERSITAET BERLIN (DE) 2014-08-19 — — US disclosed
US-20120016103-A1 PEPSTATIN A DERIVATIVES FREIE UNIVERSITAET BERLIN 2012-01-19 — — US disclosed
US-20120016103-A1 PEPSTATIN A DERIVATIVES FREIE UNIVERSITAET BERLIN 2012-01-19 — — 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-20120016103-A1 PEPSTATIN A DERIVATIVES PEPD, ANPEP, VIP CASP3 2509/4885MDM4 3026/4885TP53 1417/4885

“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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