SCHEMBL5458688

SCHEMBL5458688

CC(C)NCC(=O)Nc1sc2c(c1C(N)=O)CCOC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
CFTR P13569 1/20 0.60
KDM4E B2RXH2 3/20 0.52
FLT3 P36888 2/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 7/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
PTPRC P08575 1/20 0.49
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPRB P23467 1/20 0.49
PTPRE P23469 1/20 0.49
RAB9A P51151 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK10 P53779 2/20 0.48
CNR2 P34972 3/20 0.48
ANO1 Q5XXA6 2/20 0.48

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
SCHEMBL5467640 0.91 CFTR (0.58) SMN1; SMN2NPSR1CFTRKDM4EFLT3
SCHEMBL5447386 0.89 NPSR1 (0.60) SMN1; SMN2NPSR1CFTRKDM4EFLT3
SCHEMBL5467138 0.86 CFTR (0.62) SMN1; SMN2NPSR1CFTRKDM4EFLT3
SCHEMBL5451710 0.85 CFTR (0.58) SMN1; SMN2NPSR1CFTRKDM4EFLT3
SCHEMBL5458989 0.84 CFTR (0.60) SMN1; SMN2NPSR1CFTRKDM4EFLT3
SCHEMBL5463020 0.84 CFTR (0.55) SMN1; SMN2NPSR1CFTRKDM4EFLT3
SCHEMBL5454147 0.83 CFTR (0.59) SMN1; SMN2NPSR1CFTRKDM4EFLT3
SCHEMBL5453359 0.82 CFTR (0.64) SMN1; SMN2NPSR1CFTRKDM4EFLT3
SCHEMBL5452378 0.82 CFTR (0.58) SMN1; SMN2NPSR1CFTRKDM4EFLT3
SCHEMBL5445049 0.82 CFTR (0.60) SMN1; SMN2CFTRKDM4EFLT3MAPK1

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 SMN1; SMN2 2157/4885NPSR1 3733/4885CFTR 2030/4885

“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.