SCHEMBL490652

SCHEMBL490652

CC(C)(C)OC(=O)N[C@@H](CCOCc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.63
PPARG P37231 8/20 0.60
CTSS P25774 4/20 0.55
CTSK P43235 3/20 0.55
CACNA1B Q00975 1/20 0.51
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
PPARD Q03181 2/20 0.47
ACE P12821 1/20 0.45
ITGAV P06756 1/20 0.44
ITGB6 P18564 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
CTSB P07858 1/20 0.43
PTPN1 P18031 2/20 0.43

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
SCHEMBL346305 0.90 PPARA (0.76) PPARAPPARGCTSSCTSKCACNA1B
SCHEMBL8234296 0.90 PPARA (0.76) PPARAPPARGCTSSCTSKCACNA1B
SCHEMBL955526 0.89 PPARA (0.74) PPARAPPARGCTSSCTSKPPARD
SCHEMBL955527 0.89 PPARA (0.74) PPARAPPARGCTSSCTSKPPARD
SCHEMBL1312604 0.89 PPARA (0.74) PPARAPPARGCTSSCTSKPPARD
SCHEMBL22390633 0.88 PPARA (0.63) PPARAPPARGCTSSCTSKCACNA1B
SCHEMBL22390631 0.88 PPARA (0.63) PPARAPPARGCTSSCTSKCACNA1B
SCHEMBL6559443 0.87 PPARA (0.61) PPARAPPARGCTSSCTSKCACNA1B
SCHEMBL27538069 0.87 PPARA (0.61) PPARAPPARGCTSSCTSKCACNA1B
SCHEMBL6576315 0.86 PPARA (0.60) PPARAPPARGCTSSCTSKITGB3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
EP-2086956-B1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2011-09-14 EP disclosed
EP-2086956-B1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2011-09-14 EP disclosed
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 US disclosed
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 US disclosed
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 US 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 4032/4885CTSS 2844/4885

“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.