SCHEMBL5459194

SCHEMBL5459194

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.54
KCNH2 Q12809 10/20 0.46
PDE4B Q07343 2/20 0.44
PTPN1 P18031 1/20 0.44
ANO1 Q5XXA6 1/20 0.43
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
PDE4D Q08499 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 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
SCHEMBL5451415 0.87 TNIK (0.56) TNIKKCNH2PDE4BPTPN1ANO1
SCHEMBL5459133 0.87 TNIK (0.59) TNIKKCNH2PDE4BPTPN1ANO1
SCHEMBL5453345 0.86 TNIK (0.59) TNIKKCNH2PDE4BPTPN1ANO1
SCHEMBL5452297 0.85 TNIK (0.54) TNIKKCNH2PDE4BPTPN1ANO1
SCHEMBL5451267 0.84 TNIK (0.59) TNIKKCNH2PTPN1ANO1MAPT
SCHEMBL5448399 0.84 TNIK (0.62) TNIKKCNH2PDE4BPTPN1ANO1
SCHEMBL5446149 0.84 TNIK (0.74) TNIKKCNH2PDE4BPTPN1ANO1
SCHEMBL5752965 0.84 TNIK (0.74) TNIKKCNH2PDE4BPTPN1ANO1
SCHEMBL5459994 0.84 TNIK (0.74) TNIKKCNH2PDE4BPTPN1ANO1
SCHEMBL5451183 0.82 CFTR (0.53) TNIKKCNH2PTPN1ANO1KMT2A

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-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

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 4134/4885KCNH2 3409/4885PDE4B 1387/4885

“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.