SCHEMBL4482158

SCHEMBL4482158

COc1c(N)cc(C(C)(C)C)cc1NC(=O)c1cccc(-n2cc(C(=O)O)cn2)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 8/20 0.39
PPARG P37231 7/20 0.39
PPARA Q07869 2/20 0.39
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 1/20 0.38
GFER P55789 1/20 0.38
PPARD Q03181 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
EGLN1 Q9GZT9 3/20 0.36
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
ALKBH1 Q13686 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
SCHEMBL4491863 0.84 ABL1 (0.41) NR1H4PPARGPPARAMAPK14
SCHEMBL4478482 0.75 ABL1 (0.41) NR1H4PPARGEGLN1MAPK14
SCHEMBL13935897 0.74 MAPK14 (0.40) MAPK14
Pivalamide SCHEMBL5179479 0.73 ABL1 (0.39) NR1H4PPARGMAPK14
SCHEMBL5179484 0.73 ABL1 (0.38) NR1H4PPARGEGLN1MAPK14
SCHEMBL4477561 0.72 BRAF (0.52) MAPK14
SCHEMBL4486661 0.72 MAPK14 (0.43) MAPK14
Pivalamide SCHEMBL5178016 0.71 MAPK14 (0.41) MAPK14
SCHEMBL5178024 0.70 XDH (0.41) MAPK14
SCHEMBL4501456 0.70 BRAF (0.40) NR1H4NR1I2

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-7485657-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
US-20050256113-A1 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-17 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-20050256113-A1 Anti-cytokine heterocyclic compounds TNF, IL6, IL2 NR1H4 408/4885PPARG 475/4885PPARA 626/4885

“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.