SCHEMBL4224865

SCHEMBL4224865

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

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.50
KMT2A Q03164 1/20 0.50
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
PTPN1 P18031 1/20 0.44
MDM2 Q00987 1/20 0.44

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
SCHEMBL5556459 1.00 CTSK (0.50) CTSKKMT2ACTSLCTSBCTSS
SCHEMBL4411710 0.96 CTSK (0.53) CTSKKMT2ACTSLCTSSPTPN1
SCHEMBL4220073 0.91 KMT2A (0.47) CTSKKMT2APTPN1
SCHEMBL14599770 0.88 KMT2A (0.50) CTSKKMT2ACTSSMDM2
SCHEMBL4216632 0.87 KMT2A (0.54) KMT2AMDM2
SCHEMBL4214513 0.87 CTSS (0.55) CTSKKMT2ACTSLCTSBCTSS
SCHEMBL4219003 0.87 CTSS (0.55) CTSKKMT2ACTSLCTSBCTSS
SCHEMBL4224899 0.87 CTSS (0.55) CTSKKMT2ACTSLCTSBCTSS
SCHEMBL30887576 0.87 PTPN1 (0.51) CTSKPTPN1
SCHEMBL9449850 0.86 MDM4 (0.51) KMT2APTPN1MDM2

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 CTSK 4083/4885KMT2A 1541/4885CTSL 4417/4885

“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.