SCHEMBL5455084

SCHEMBL5455084

C=CCOCC1CC1C(=O)Nc1sc2c(c1C(N)=O)CCOC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.47
CNR2 P34972 8/20 0.44
ALDH1A1 P00352 6/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
MAPK10 P53779 1/20 0.43
MDM2 Q00987 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPRC P08575 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPRB P23467 1/20 0.42
PTPRE P23469 1/20 0.42
FLT3 P36888 1/20 0.42
GAA P10253 1/20 0.42
POLB P06746 2/20 0.41

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
SCHEMBL5460372 0.85 CNR2 (0.54) CFTRCNR2ALDH1A1HPGDHSD17B10
SCHEMBL5457615 0.83 CFTR (0.50) CFTRCNR2ALDH1A1HPGDHSD17B10
SCHEMBL5450939 0.83 CFTR (0.54) CFTRCNR2ALDH1A1HPGDHSD17B10
SCHEMBL14361079 0.82 CFTR (0.56) CFTRCNR2ALDH1A1HPGDHSD17B10
SCHEMBL5453253 0.79 CFTR (0.53) CFTRCNR2ALDH1A1HPGDHSD17B10
SCHEMBL5452084 0.78 ALDH1A1 (0.55) CFTRCNR2ALDH1A1HPGDHSD17B10
SCHEMBL5460380 0.77 CFTR (0.60) CFTRCNR2ALDH1A1HPGDHSD17B10
SCHEMBL5466126 0.77 CFTR (0.57) CFTRCNR2ALDH1A1HPGDHSD17B10
SCHEMBL5449705 0.77 CFTR (0.51) CFTRCNR2ALDH1A1HPGDHSD17B10
SCHEMBL5457472 0.77 CFTR (0.52) CFTRCNR2ALDH1A1KDM4EMAPT

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 7 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
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US 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 CFTR 2030/4885CNR2 2272/4885ALDH1A1 1153/4885

“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.