SCHEMBL5008535

SCHEMBL5008535

COc1cccc(-c2cc(Nc3cc(F)ccc3C(=O)O)n(-c3ccccc3C)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.53
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
GFER P55789 1/20 0.44
POLB P06746 1/20 0.44
SLC16A3 O15427 1/20 0.43
SLC16A1 P53985 1/20 0.43
MAPT P10636 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
TP53 P04637 1/20 0.42
DHODH Q02127 1/20 0.42

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
SCHEMBL5005264 0.90 GFER (0.55) ADORA1GFERPOLBSLC16A3SLC16A1
SCHEMBL5008839 0.90 ADORA1 (0.47) ADORA1MAPTTP53
SCHEMBL5008399 0.88 ADORA1 (0.55) ADORA1GFERPOLBSLC16A3SLC16A1
SCHEMBL5008583 0.87 ADORA1 (0.62) ADORA1GFERPOLBSLC16A3SLC16A1
SCHEMBL5007784 0.87 ADORA1 (0.51) ADORA1POLBMAPT
SCHEMBL5008553 0.86 ADORA1 (0.59) ADORA1GFERMAPTADORA3TP53
SCHEMBL5008457 0.85 ADORA1 (0.47) ADORA1POLBMAPTTP53
SCHEMBL5008431 0.83 ADORA1 (0.62) ADORA1AKR1C3AKR1C2GFERMAPT
SCHEMBL27637159 0.83 POLB (0.52) ADORA1AKR1C3AKR1C2GFERPOLB
SCHEMBL5011987 0.82 ADORA1 (0.66) ADORA1GFERPOLBMAPTADORA3

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-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2008-03-13 US disclosed
US-7265144-B2 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-04 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-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes IAPP, GLP1R, GPR119 ADORA1 749/4885AKR1C3 1060/4885AKR1C2 1064/4885

“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.