SCHEMBL5843558

SCHEMBL5843558

CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ CASP3 P42574 2/20 0.51
▸ KMT2A Q03164 2/20 0.48
▸ MDM2 Q00987 2/20 0.47
▸ TLR2 O60603 2/20 0.47
▸ EPHX2 P34913 1/20 0.46

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
SCHEMBL27677788 0.88 KMT2A (0.54) MDM4TP53CASP3KMT2AMDM2
SCHEMBL31675022 0.88 MDM4 (0.60) MDM4TP53CASP3KMT2AMDM2
SCHEMBL29401430 0.88 MDM4 (0.60) MDM4TP53CASP3KMT2AMDM2
SCHEMBL30353997 0.88 MDM4 (0.60) MDM4TP53CASP3KMT2AMDM2
SCHEMBL10187006 0.88 KMT2A (0.52) MDM4TP53CASP3KMT2AMDM2
SCHEMBL178787 0.88 MDM4 (0.60) MDM4TP53CASP3KMT2AMDM2
SCHEMBL118051 0.88 MDM4 (0.60) MDM4TP53CASP3KMT2AMDM2
SCHEMBL12677657 0.88 KMT2A (0.52) MDM4TP53CASP3KMT2AMDM2
SCHEMBL29378420 0.88 MDM4 (0.60) MDM4TP53CASP3KMT2AMDM2
SCHEMBL30191581 0.88 MDM4 (0.60) MDM4TP53CASP3KMT2AMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 — — US disclosed
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 — — WO disclosed
US-20040198780-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-10-07 — — 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-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE MDM4 4690/4885TP53 1192/4885CASP3 461/4885

“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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