SCHEMBL4220073

SCHEMBL4220073

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

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
CTSK P43235 6/20 0.45
PTPN1 P18031 1/20 0.41
BACE1 P56817 1/20 0.41
EPHX2 P34913 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
SCHEMBL4224865 0.91 CTSK (0.50) KMT2ACTSKPTPN1
SCHEMBL5556459 0.91 CTSK (0.50) KMT2ACTSKPTPN1
SCHEMBL4214485 0.90 KMT2A (0.51) KMT2ACTSKPTPN1EPHX2
SCHEMBL4411710 0.89 CTSK (0.53) KMT2ACTSKPTPN1
SCHEMBL4223206 0.88 KMT2A (0.51) KMT2AEPHX2
SCHEMBL4224327 0.88 KMT2A (0.47) KMT2ACTSKPTPN1
SCHEMBL4216654 0.88 KMT2A (0.47) KMT2ACTSKPTPN1
SCHEMBL4220175 0.88 KMT2A (0.47) KMT2ACTSKPTPN1
SCHEMBL13878565 0.87 KMT2A (0.52) KMT2ACTSKPTPN1EPHX2
SCHEMBL4216373 0.83 KMT2A (0.60) KMT2AEPHX2

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-20090105091-A1 Modified Amino Acids TECHNISCHE UNIVERSITAT WIEN (AT) 2009-04-23 US 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 1541/4885CTSK 4083/4885PTPN1 3189/4885

“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.