SCHEMBL3603293

SCHEMBL3603293

CC(C)(C)OC(=O)N[C@@H](CCN(Cc1ccccc1)c1ccc(Br)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.48
PPARG P37231 4/20 0.48
ACE P12821 1/20 0.47
CTSK P43235 6/20 0.47
CTSS P25774 6/20 0.47
AKT1 P31749 2/20 0.45
PPARD Q03181 2/20 0.44
CTSB P07858 2/20 0.44
CTSL P07711 1/20 0.44
CACNA1B Q00975 1/20 0.42
APP P05067 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
SCHEMBL490569 0.86 CACNA1B (0.55) ACECTSKCTSSAKT1CTSB
SCHEMBL29865457 0.81 PPARA (0.55) PPARAPPARGACECTSKCTSS
SCHEMBL17713482 0.77 CTSK (0.59) PPARAPPARGACECTSKCTSS
SCHEMBL12332834 0.77 CACNA1B (0.46) PPARAPPARGACECTSKCTSS
SCHEMBL181775 0.76 CTSK (0.71) PPARAPPARGACECTSKCTSS
SCHEMBL181808 0.76 CTSK (0.71) PPARAPPARGACECTSKCTSS
SCHEMBL181807 0.76 CTSK (0.71) PPARAPPARGACECTSKCTSS
SCHEMBL490570 0.75 CACNA1B (0.47) PPARAPPARGACECTSKCTSS
SCHEMBL26270 0.75 CTSS (0.72) PPARAPPARGACECTSKCTSS
SCHEMBL26271 0.75 CTSS (0.72) PPARAPPARGACECTSKCTSS

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-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 US disclosed
EP-2086956-A1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE Chroma Therapeutics Limited (GB) 2009-08-12 EP disclosed
WO-2008053185-A1 INHIBITORS OF IKK-β SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 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-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase IKBKB, IKBKE, CHUK PPARA 3915/4885PPARG 4032/4885ACE 3493/4885

“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.