SCHEMBL5453504

SCHEMBL5453504

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.62
PTPRC P08575 1/20 0.51
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPRB P23467 1/20 0.51
PTPRE P23469 1/20 0.51
CNR2 P34972 7/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
FLT3 P36888 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48
KIF11 P52732 1/20 0.48
GCGR P47871 1/20 0.47
ANO1 Q5XXA6 1/20 0.47
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL5467278 0.92 CFTR (0.59) CFTRPTPRCPTPN2PTPN1PTPRB
SCHEMBL5462741 0.91 CFTR (0.62) CFTRPTPRCPTPN2PTPN1PTPRB
SCHEMBL5453381 0.89 CFTR (0.66) CFTRPTPRCPTPN2PTPN1PTPRB
SCHEMBL5454147 0.85 CFTR (0.59) CFTRPTPRCPTPN2PTPN1PTPRB
SCHEMBL5458226 0.85 ALDH1A1 (0.52) CFTRPTPRCPTPN2PTPN1PTPRB
SCHEMBL3912860 0.84 FLT3 (0.68) CFTRSMN1; SMN2NPSR1FLT3KDM4E
SCHEMBL5467138 0.83 CFTR (0.62) CFTRPTPRCPTPN2PTPN1PTPRB
SCHEMBL8290653 0.82 CFTR (0.67) CFTRPTPRCPTPN2PTPN1PTPRB
SCHEMBL5449075 0.82 CFTR (0.66) CFTRPTPRCPTPN2PTPN1PTPRB
SCHEMBL5453359 0.82 CFTR (0.64) CFTRPTPRCPTPN2PTPN1PTPRB

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 6 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
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 2030/4885PTPRC 1457/4885PTPN2 2364/4885

“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.