SCHEMBL4216632

SCHEMBL4216632

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

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
EPHX2 P34913 1/20 0.46
CASP3 P42574 3/20 0.44
MDM2 Q00987 1/20 0.43
MDM4 O15151 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL17553601 0.96 KMT2A (0.51) KMT2AEPHX2CASP3MDM2MDM4
SCHEMBL4223206 0.93 KMT2A (0.51) KMT2AEPHX2CASP3MDM2MDM4
SCHEMBL4224865 0.87 CTSK (0.50) KMT2AMDM2
SCHEMBL5556459 0.87 CTSK (0.50) KMT2AMDM2
SCHEMBL14431223 0.86 CTSS (0.54) KMT2AEPHX2CASP3MDM2MDM4
SCHEMBL31488504 0.85 CASP3 (0.47) KMT2AEPHX2CASP3MDM2MDM4
SCHEMBL30877991 0.85 CASP3 (0.47) KMT2AEPHX2CASP3MDM2MDM4
SCHEMBL17922693 0.85 CASP3 (0.47) KMT2AEPHX2CASP3MDM2MDM4
SCHEMBL22144906 0.85 CASP3 (0.47) KMT2AEPHX2CASP3MDM2MDM4
SCHEMBL29813316 0.85 CASP3 (0.47) KMT2AEPHX2CASP3MDM2MDM4

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-20090105091-A1 Modified Amino Acids TECHNISCHE UNIVERSITAT WIEN (AT) 2009-04-23 US disclosed
EP-1989180-A1 MODIFIED AMINO ACIDS Technische Universität Wien (AT) 2008-11-12 EP disclosed
WO-2007095980-A1 MODIFIED AMINO ACIDS TECHNISCHE UNIVERSITÄT WIEN (AT) 2007-08-30 WO disclosed
EP-1826199-A1 Modified amino acids Technische Universität Wien (AT) 2007-08-29 EP disclosed
EP-1826199-A1 Modified amino acids Technische Universität Wien (AT) 2007-08-29 EP 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-20090105091-A1 Modified Amino Acids SLC1A2, NR1H4, OXGR1 KMT2A 1541/4885EPHX2 1159/4885CASP3 4731/4885

“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.