SCHEMBL5449503

SCHEMBL5449503

C[C@H]1OCc2sc(N)c(C(N)=O)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 0.47
MAPT P10636 14/20 0.47
KDM4E B2RXH2 10/20 0.47
HPGD P15428 10/20 0.47
HSD17B10 Q99714 6/20 0.47
ALOX15 P16050 6/20 0.47
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
GLA P06280 1/20 0.43
USP2 O75604 2/20 0.42
RECQL P46063 2/20 0.42
MAPK1 P28482 1/20 0.41
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ANO1 Q5XXA6 1/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
ADORA1 P30542 2/20 0.34
RAD52 P43351 1/20 0.34

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
SCHEMBL2162573 0.83 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL2162345 0.81 CNR1 (0.38) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL2162393 0.81 CNR1 (0.38) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL2162192 0.80 ALDH1A1 (0.50) ALDH1A1MAPTHPGDHSD17B10MEN1
SCHEMBL2162281 0.80 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL2162435 0.76 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL5453373 0.75 FLT3 (0.54) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL20339216 0.74 ALOX15 (0.42) MAPTALOX15MEN1KMT2ALMNA
SCHEMBL8290782 0.70 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL22624336 0.64 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EHPGDHSD17B10

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 3 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-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 1153/4885MAPT 21/4885KDM4E 3417/4885

“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.