SCHEMBL1147482

SCHEMBL1147482

CC(C)(C)OC(=O)N[C@@H](C/C=C(/c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1CCCC1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.37
CACNA1B Q00975 3/20 0.37
PPARA Q07869 6/20 0.37
PPARG P37231 5/20 0.37
PPARD Q03181 2/20 0.37
ITGB3 P05106 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA2B P08514 1/20 0.36
ITGB5 P18084 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
IDO1 P14902 1/20 0.36
ACE P12821 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL490389 0.90 AAK1 (0.42) AAK1CACNA1BPPARAPPARGPPARD
SCHEMBL490473 0.90 AAK1 (0.42) AAK1CACNA1BPPARAPPARGPPARD
SCHEMBL490798 0.90 AAK1 (0.42) AAK1CACNA1BPPARAPPARGPPARD
SCHEMBL1147713 0.89 AAK1 (0.35) AAK1CACNA1BPPARAPPARGPPARD
SCHEMBL1147406 0.86 PRMT5 (0.39) AAK1CACNA1BPPARAPPARGPRMT5
SCHEMBL490824 0.86 AAK1 (0.40) AAK1CACNA1BPPARAPPARGPPARD
SCHEMBL490476 0.85 PPARG (0.37) AAK1CACNA1BPPARAPPARGPPARD
SCHEMBL1147981 0.84 CACNA1B (0.45) AAK1CACNA1BPPARAPPARGPPARD
SCHEMBL490918 0.80 CACNA1B (0.51) AAK1CACNA1BPPARAPPARGPPARD
SCHEMBL491162 0.80 CACNA1B (0.51) AAK1CACNA1BPPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297128-A1 INHIBITORS OF IKK- SERINE-THREONINE PROTEIN KINASE Chroma Therapeutics Ltd. (GB) 2011-03-23 EP disclosed
US-20110039920-A1 INHIBITORS OF IKK-BETA SERINE-THERONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2011-02-17 US 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-20110039920-A1 INHIBITORS OF IKK-BETA SERINE-THERONINE PROTEIN KINASE CSNK1E, PACSIN2, CHUK AAK1 673/4885CACNA1B 2695/4885PPARA 4515/4885

“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.