SCHEMBL4484455

SCHEMBL4484455

Cc1ccc(C(=O)Nc2cc(C(C)(C)C)cnc2C)cc1-n1cc(C(=O)O)cn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.42
BCR P11274 8/20 0.42
PPARG P37231 2/20 0.41
BRAF P15056 4/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
ALKBH1 Q13686 1/20 0.40
EGLN1 Q9GZT9 2/20 0.38
PPARA Q07869 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
Pivalamide SCHEMBL5177279 0.95 MAPK11 (0.41) ABL1BCRPPARGBRAFMAPK11
SCHEMBL5177289 0.95 MAPK11 (0.40) ABL1BCRPPARGBRAFMAPK11
SCHEMBL5177283 0.88 MAPK14 (0.41) ABL1BCRBRAFMAPK11MAPK14
SCHEMBL4473152 0.85 BRAF (0.44) BRAF
SCHEMBL4463281 0.83 ABL1 (0.42) ABL1BCRPPARGBRAFMAPK11
SCHEMBL4463276 0.83 ABL1 (0.42) ABL1BCRPPARGBRAFMAPK11
SCHEMBL4479189 0.83 ABL1 (0.42) ABL1BCRPPARGBRAFMAPK11
SCHEMBL4478482 0.82 ABL1 (0.41) ABL1BCRPPARGBRAFMAPK11
SCHEMBL4491863 0.82 ABL1 (0.41) ABL1BCRPPARGBRAFMAPK11
SCHEMBL4482574 0.82 ABL1 (0.39) ABL1BCRPPARGPPARANR1H4

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 1202/4885PPARG 475/4885

“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.