SCHEMBL1147713

SCHEMBL1147713

Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(/C(=C/C[C@H](NC(=O)OC(C)(C)C)C(=O)O)C2CCCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
CACNA1B Q00975 3/20 0.34
MAPK1 P28482 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
IDO1 P14902 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32
ACE P12821 1/20 0.32
PSMB5 P28074 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PPARD Q03181 1/20 0.32

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
SCHEMBL1147482 0.89 AAK1 (0.37) AAK1PPARGPPARACACNA1BMAPK1
SCHEMBL490798 0.88 AAK1 (0.42) AAK1PPARGPPARACACNA1BMAPK1
SCHEMBL490389 0.88 AAK1 (0.42) AAK1PPARGPPARACACNA1BMAPK1
SCHEMBL490473 0.88 AAK1 (0.42) AAK1PPARGPPARACACNA1BMAPK1
SCHEMBL490824 0.85 AAK1 (0.40) AAK1PPARGPPARACACNA1BMAPK1
SCHEMBL1147406 0.85 PRMT5 (0.39) AAK1PPARGPPARACACNA1BMAPK1
SCHEMBL490476 0.82 PPARG (0.37) AAK1PPARGPPARACACNA1BMAPK1
SCHEMBL491162 0.76 CACNA1B (0.51) AAK1PPARGPPARACACNA1BMAPK1
SCHEMBL490918 0.76 CACNA1B (0.51) AAK1PPARGPPARACACNA1BMAPK1
SCHEMBL1147981 0.74 CACNA1B (0.45) AAK1PPARGPPARACACNA1BMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 673/4885PPARG 4773/4885PPARA 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.