SCHEMBL2806873

SCHEMBL2806873

CC(NC(=O)C1(N(C(=O)O)C(C)(C)C)CC1)c1ncc(Nc2c(F)cccc2C(F)(F)F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.37
PTGS2 P35354 1/20 0.36
JAK1 P23458 2/20 0.34
JAK3 P52333 2/20 0.34
JAK2 O60674 1/20 0.34
MAPK10 P53779 1/20 0.31
DHODH Q02127 1/20 0.30
MAP4K1 Q92918 1/20 0.30

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
SCHEMBL2811243 0.84 BDKRB1 (0.40) BDKRB1PTGS2JAK1JAK3JAK2
SCHEMBL2808238 0.83 BDKRB1 (0.47) BDKRB1PTGS2
SCHEMBL14856644 0.78 PTGS2 (0.39) BDKRB1PTGS2JAK1JAK3JAK2
SCHEMBL2810126 0.77 BDKRB1 (0.47) BDKRB1
SCHEMBL14856857 0.76 BDKRB1 (0.44) BDKRB1
SCHEMBL27870347 0.75 PTGS2 (0.44) PTGS2JAK1JAK3JAK2MAPK10
SCHEMBL2806126 0.75 BDKRB1 (0.46) BDKRB1
SCHEMBL13159870 0.72 BDKRB1 (0.40) BDKRB1
SCHEMBL27870348 0.71 PTGS2 (0.39) PTGS2JAK1JAK3JAK2MAPK10
Hydrochloric Acid SCHEMBL2807566 0.71 PTGS2 (0.38) PTGS2JAK1JAK3JAK2MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885PTGS2 3027/4885JAK1 936/4885

“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.