SCHEMBL5446191

SCHEMBL5446191

CC(O)c1ccc(NC(=O)Nc2sc3c(c2C(N)=O)CCC(O)C3)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.59
KCNH2 Q12809 10/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
MAPT P10636 3/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
PTPN1 P18031 1/20 0.47
KMT2A Q03164 4/20 0.46
PDE4B Q07343 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PDE4D Q08499 1/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
ANO1 Q5XXA6 1/20 0.45

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
SCHEMBL5451267 0.86 TNIK (0.59) TNIKKCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL5448399 0.86 TNIK (0.62) TNIKKCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL5453345 0.86 TNIK (0.59) TNIKKCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL5446149 0.86 TNIK (0.74) TNIKKCNH2MAPTDUSP3PTPN5
SCHEMBL5459994 0.86 TNIK (0.74) TNIKKCNH2MAPTDUSP3PTPN5
SCHEMBL5752965 0.86 TNIK (0.74) TNIKKCNH2MAPTDUSP3PTPN5
SCHEMBL5459133 0.86 TNIK (0.59) TNIKKCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL5453529 0.86 TNIK (0.59) TNIKKCNH2MAPTDUSP3PTPN5
SCHEMBL5451415 0.84 TNIK (0.56) TNIKKCNH2MAPTDUSP3PTPN5
SCHEMBL5458229 0.83 TNIK (0.61) TNIKKCNH2MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3409/4885CYP3A4 1171/4885

“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.