SCHEMBL4463276

SCHEMBL4463276

Cc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2[S+](C)[O-])cc1-n1cc(C(=O)O)cn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.42
BCR P11274 8/20 0.42
PPARG P37231 2/20 0.41
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
BRAF P15056 2/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
NR1H4 Q96RI1 3/20 0.38
PPARA Q07869 1/20 0.38
ALKBH1 Q13686 1/20 0.37
EGLN1 Q9GZT9 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
SCHEMBL4463281 1.00 ABL1 (0.42) ABL1BCRPPARGHPGDHTT
SCHEMBL4479189 1.00 ABL1 (0.42) ABL1BCRPPARGHPGDHTT
SCHEMBL5343329 0.95 ABL1 (0.39) ABL1BCRPPARGHPGDHTT
SCHEMBL5177348 0.95 ABL1 (0.39) ABL1BCRPPARGHPGDHTT
SCHEMBL13935950 0.89 ABL1 (0.39) ABL1BCRHPGDHTTBRAF
SCHEMBL13935942 0.89 ABL1 (0.39) ABL1BCRHPGDHTTBRAF
SCHEMBL5177343 0.89 ABL1 (0.39) ABL1BCRHPGDHTTBRAF
SCHEMBL1414199 0.85 BRAF (0.41) PPARGHPGDHTTBRAFNR1H4
SCHEMBL4484455 0.83 ABL1 (0.42) ABL1BCRPPARGBRAFMAPK11
SCHEMBL4479644 0.81 HTT (0.40) ABL1PPARGHPGDHTTNR1H4

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 4 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
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.