SCHEMBL13063424

SCHEMBL13063424

COc1cc(C)c(SN(C)CCN(CC(=O)O)C(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL3440368 0.79 BDKRB1 (0.44) KEAP1NFE2L2
SCHEMBL13063372 0.79 KEAP1 (0.41) KEAP1NFE2L2LMNAMEN1TSHR
SCHEMBL12046796 0.77 HTT (0.44) LMNAMEN1TSHRKMT2AHTT
SCHEMBL13063422 0.74 F10 (0.42)
SCHEMBL13063135 0.73 CYP3A4 (0.32)
SCHEMBL2579003 0.73 CA14 (0.42) LMNAL3MBTL1MEN1TSHRKMT2A
SCHEMBL12012115 0.72 BDKRB1 (0.40) LMNAMEN1TSHRKMT2AHTT
SCHEMBL13063435 0.71 BRD4 (0.40)
SCHEMBL13063136 0.71 LMNA (0.35) LMNAMEN1TSHRKMT2A
SCHEMBL13063117 0.70 CYP3A4 (0.40) LMNAMEN1TSHRKMT2AHTT

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
US-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 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-20090137545-A1 Compounds ADORA2B, ABCB11, CYP11B1 KEAP1 2284/4885NFE2L2 3482/4885PPARG 1738/4885

“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.