SCHEMBL5008553

SCHEMBL5008553

COc1cccc(-c2cc(Nc3ccc(C)cc3C(=O)O)n(-c3ccccc3C)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.59
DHODH Q02127 4/20 0.55
ADORA3 P0DMS8 1/20 0.50
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.47
GFER P55789 1/20 0.46

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
SCHEMBL5008583 0.94 ADORA1 (0.62) ADORA1DHODHADORA3MAPTGFER
SCHEMBL5008431 0.94 ADORA1 (0.62) ADORA1DHODHADORA3MAPTTP53
SCHEMBL5005264 0.92 GFER (0.55) ADORA1ADORA3MAPTTP53GFER
SCHEMBL5011987 0.90 ADORA1 (0.66) ADORA1ADORA3MAPTGFER
SCHEMBL5008775 0.90 ADORA1 (0.55) ADORA1DHODHMAPTTP53
SCHEMBL5008399 0.89 ADORA1 (0.55) ADORA1DHODHADORA3MAPTTP53
SCHEMBL5010557 0.89 ADORA1 (0.71) ADORA1DHODHADORA3MAPTGFER
SCHEMBL5007722 0.87 ADORA1 (0.70) ADORA1ADORA3GFER
SCHEMBL14600727 0.87 DHODH (0.55) ADORA1DHODHADORA3
SCHEMBL5005236 0.86 ADORA1 (0.56) ADORA1DHODHADORA3MAPTTP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2008-03-13 US claimed
US-7265144-B2 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-04 US claimed
EP-1567517-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Pharmaceuticals Corporation (US) 2005-08-31 EP claimed
US-20040157904-A1 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION 2004-08-12 US claimed
WO-2004050651-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2004-06-17 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes IAPP, GLP1R, GPR119 ADORA1 749/4885DHODH 2978/4885ADORA3 111/4885
US-20040157904-A1 Anilinopyrazole derivatives useful for the treatment of diabetes IAPP, GLP1R, GPR119 ADORA1 749/4885DHODH 2978/4885ADORA3 111/4885

“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.