SCHEMBL5458496

SCHEMBL5458496

CCOC(=O)c1c(NC(=O)CCl)sc2c1CCOC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.56
TSHR P16473 5/20 0.56
HSD17B10 Q99714 3/20 0.56
ALOX15 P16050 2/20 0.56
MAPK1 P28482 1/20 0.56
MAPT P10636 7/20 0.55
KDM4E B2RXH2 5/20 0.55
NPSR1 Q6W5P4 4/20 0.55
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 1/20 0.53
ATM Q13315 1/20 0.53
CNR2 P34972 2/20 0.53
ANO1 Q5XXA6 1/20 0.53
KMT2A Q03164 1/20 0.52
PDE4D Q08499 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL5460524 0.90 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL5453319 0.84 MAPT (0.53) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL5467525 0.84 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL5450569 0.84 KMT2A (0.69) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL11381737 0.83 ALDH1A1 (0.76) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL5451879 0.83 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL4080930 0.83 CNR2 (0.69) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL5458226 0.83 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL5457865 0.82 MAPT (0.51) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL19475093 0.82 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10ALOX15MAPK1

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 disclosed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP disclosed
WO-2005044008-A2 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-05-19 WO 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 ALDH1A1 1153/4885TSHR 1038/4885HSD17B10 635/4885

“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.