SCHEMBL5459433

SCHEMBL5459433

CN(C)CCNC(=O)Nc1sc2c(c1C(N)=O)CCOC2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.55
CNR2 P34972 10/20 0.48
PTPRC P08575 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPRB P23467 1/20 0.47
PTPRE P23469 1/20 0.47
FLT3 P36888 2/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
CNR1 P21554 1/20 0.43
KIF11 P52732 1/20 0.43
MAPK1 P28482 1/20 0.42
ANO1 Q5XXA6 1/20 0.42
UBE2N P61088 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
SCHEMBL5465529 0.89 CFTR (0.53) CFTRCNR2PTPRCPTPN2PTPN1
SCHEMBL5451580 0.86 CFTR (0.56) CFTRCNR2PTPRCPTPN2PTPN1
SCHEMBL5450954 0.85 CFTR (0.52) CFTRCNR2PTPRCPTPN2PTPN1
SCHEMBL5450850 0.85 CFTR (0.58) CFTRCNR2PTPRCPTPN2PTPN1
SCHEMBL5455772 0.84 CFTR (0.54) CFTRCNR2PTPRCPTPN2PTPN1
SCHEMBL8290653 0.81 CFTR (0.67) CFTRCNR2PTPRCPTPN2PTPN1
SCHEMBL5455685 0.80 CFTR (0.63) CFTRCNR2PTPRCPTPN2PTPN1
SCHEMBL5460329 0.80 CFTR (0.62) CFTRCNR2PTPRCPTPN2PTPN1
SCHEMBL5451979 0.80 CFTR (0.57) CFTRCNR2PTPRCPTPN2PTPN1
SCHEMBL5467760 0.79 LMNA (0.54) CFTRCNR2PTPRCPTPN2PTPN1

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 5 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
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 CFTR 2030/4885CNR2 2272/4885PTPRC 1457/4885

“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.