SCHEMBL5451294

SCHEMBL5451294

CCOC(=O)[C@@H]1CCc2c(sc(N)c2C(N)=O)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.60
MAPT P10636 14/20 0.60
HPGD P15428 10/20 0.60
KDM4E B2RXH2 9/20 0.60
HSD17B10 Q99714 6/20 0.60
ALOX15 P16050 5/20 0.60
GAA P10253 5/20 0.59
TSHR P16473 1/20 0.59
ALOX12 P18054 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 2/20 0.58
LIMK1 P53667 1/20 0.56
ANO1 Q5XXA6 1/20 0.56
POLB P06746 1/20 0.51
PDK1 Q15118 1/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
USP2 O75604 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL5451299 1.00 ALDH1A1 (0.60) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL3498811 0.90 ALDH1A1 (0.59) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL5629040 0.90 MAPT (0.73) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL3496757 0.86 ALDH1A1 (0.61) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL18135595 0.84 MAPT (0.74) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL6376110 0.84 MAPT (0.53) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL8190412 0.82 ALDH1A1 (0.62) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL15423039 0.82 ALDH1A1 (0.50) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL5118588 0.82 MEN1 (0.53) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL5450835 0.82 POLB (0.62) ALDH1A1MAPTHPGDKDM4EHSD17B10

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 21/4885HPGD 2361/4885

“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.