SCHEMBL5452297

SCHEMBL5452297

NC(=O)c1c(NC(=O)Nc2ccc(OC(F)(F)F)cc2)sc2c1CCC(O)C2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.54
EPHX2 P34913 3/20 0.48
CXCR2 P25025 2/20 0.46
KCNH2 Q12809 8/20 0.46
MAPT P10636 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
PDE4B Q07343 1/20 0.44
PTPN1 P18031 1/20 0.44
EPHX1 P07099 1/20 0.44
FAAH O00519 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
ANO1 Q5XXA6 1/20 0.43

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
SCHEMBL5455220 0.90 MAPT (0.59) TNIKMAPTDUSP3PTPN5PTPN11
SCHEMBL5451415 0.87 TNIK (0.56) TNIKEPHX2KCNH2MAPTDUSP3
SCHEMBL5453529 0.87 TNIK (0.59) TNIKKCNH2MAPTDUSP3PTPN5
SCHEMBL5462758 0.86 TNIK (0.54) TNIKKCNH2MAPTDUSP3PTPN5
SCHEMBL5453345 0.86 TNIK (0.59) TNIKKCNH2MAPTDUSP3PTPN5
SCHEMBL5455812 0.85 MAPT (0.58) EPHX2KCNH2MAPTANO1
SCHEMBL5458229 0.85 TNIK (0.61) TNIKKCNH2MAPTRXFP1
SCHEMBL5459194 0.85 TNIK (0.54) TNIKKCNH2MAPTDUSP3PTPN5
SCHEMBL5448399 0.84 TNIK (0.62) TNIKKCNH2MAPTDUSP3PTPN5
SCHEMBL5451267 0.84 TNIK (0.59) TNIKKCNH2MAPTDUSP3PTPN5

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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US claimed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP claimed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO claimed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 TNIK 4134/4885EPHX2 3325/4885CXCR2 3255/4885

“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.