SCHEMBL4491863

SCHEMBL4491863

COc1c(N)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(-n2cc(C(=O)O)cn2)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.41
BCR P11274 6/20 0.41
BRAF P15056 8/20 0.39
MAPK11 Q15759 2/20 0.39
MAPK14 Q16539 2/20 0.39
PPARG P37231 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
PPARA Q07869 1/20 0.36

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
SCHEMBL4478482 0.90 ABL1 (0.41) ABL1BCRBRAFMAPK11MAPK14
SCHEMBL13935897 0.89 MAPK14 (0.40) ABL1BCRBRAFMAPK11MAPK14
Pivalamide SCHEMBL5179479 0.88 ABL1 (0.39) ABL1BCRBRAFMAPK11MAPK14
SCHEMBL5179484 0.88 ABL1 (0.38) ABL1BCRBRAFMAPK11MAPK14
SCHEMBL4486661 0.87 MAPK14 (0.43) ABL1BCRBRAFMAPK14
SCHEMBL4477561 0.87 BRAF (0.52) BRAFMAPK14
Pivalamide SCHEMBL5178016 0.85 MAPK14 (0.41) ABL1BCRBRAFMAPK11MAPK14
SCHEMBL4501456 0.85 BRAF (0.40) BRAFNR1H4
SCHEMBL5178024 0.85 XDH (0.41) ABL1BCRMAPK11MAPK14
SCHEMBL4482158 0.84 NR1H4 (0.39) MAPK14PPARGNR1H4PPARA

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 6 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 claimed
US-20050256113-A1 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-17 US claimed
US-7485657-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
EP-1756065-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-02-28 EP disclosed
WO-2005115991-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-12-08 WO 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 ABL1 1997/4885BCR 1202/4885BRAF 4079/4885

“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.