SCHEMBL4898993

SCHEMBL4898993

COCC[C@H](N)C(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC15A1 P46059 1/20 0.36
CTSK P43235 12/20 0.35
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CTSS P25774 6/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
APLNR P35414 1/20 0.33

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
SCHEMBL4789599 0.87 CA2 (0.37) MEN1GAAKMT2ACTSKCA2
SCHEMBL29822881 0.83 CTSK (0.46) MEN1GAAKMT2ASLC15A1CTSK
SCHEMBL27511249 0.81 SLC15A1 (0.58) SLC15A1CTSKCTSS
SCHEMBL5967148 0.81 SLC15A1 (0.58) SLC15A1CTSKCTSS
SCHEMBL7163456 0.80 CTSK (0.46) CTSKCA2CA1CA7CTSS
SCHEMBL31525047 0.80 CTSK (0.46) CTSKCA2CA1CA7CTSS
SCHEMBL27546163 0.80 TDP1 (0.40) MEN1GAAKMT2ACTSKCA2
SCHEMBL11187682 0.80 TDP1 (0.40) MEN1GAAKMT2ACTSKCA2
SCHEMBL5816674 0.79 GNAI3 (0.47) MEN1GAAKMT2ASLC15A1MAOA
SCHEMBL28259715 0.79 GNAI3 (0.47) MEN1GAAKMT2ASLC15A1MAOA

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-20080234274-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-09-25 US disclosed
EP-1532124-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2005-05-25 EP disclosed
WO-2004000825-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-12-31 WO 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-20080234274-A1 Novel Compounds CTSS, CTSB, CTSF MEN1 3526/4885GAA 51/4885KMT2A 3243/4885

“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.