SCHEMBL6796003

SCHEMBL6796003

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.52
TP53 P04637 2/20 0.52
CASP3 P42574 4/20 0.50
KMT2A Q03164 2/20 0.47
MDM2 Q00987 3/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL29402087 0.87 KMT2A (0.52) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL6762639 0.87 KMT2A (0.52) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL15960134 0.87 KMT2A (0.52) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL6801346 0.86 CASP3 (0.46) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL8653524 0.86 CASP3 (0.52) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL377861 0.86 CASP3 (0.52) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL2133922 0.86 CASP3 (0.52) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL20371129 0.83 KMT2A (0.51) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL13946516 0.83 CASP3 (0.54) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL1253102 0.83 CASP3 (0.54) MDM4TP53CASP3KMT2AEPHX2

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-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MDM4 4254/4885TP53 819/4885CASP3 27/4885

“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.