SCHEMBL5448366

SCHEMBL5448366

CC1CCc2c(sc(NC(=O)C3CCCO3)c2C(N)=O)C1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.76
HTT P42858 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76
HPGD P15428 4/20 0.73
HSD17B10 Q99714 3/20 0.73
TSHR P16473 1/20 0.73
MAPK10 P53779 1/20 0.73
MDM2 Q00987 1/20 0.73
MAPT P10636 7/20 0.72
RAB9A P51151 5/20 0.72
KDM4E B2RXH2 5/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
NPC1 O15118 4/20 0.69
PKM P14618 1/20 0.69
KMT2A Q03164 1/20 0.69
DUSP3 P51452 1/20 0.65
PTPN5 P54829 1/20 0.65
PTPN11 Q06124 1/20 0.65
REV1 Q9UBZ9 1/20 0.61
POLB P06746 1/20 0.60

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
SCHEMBL5457507 0.85 ALDH1A1 (1.00) ALDH1A1HTTNPSR1HPGDHSD17B10
SCHEMBL18177320 0.84 ALDH1A1 (1.00) ALDH1A1HTTNPSR1HPGDHSD17B10
SCHEMBL5453301 0.84 REV1 (0.76) ALDH1A1HTTNPSR1HPGDHSD17B10
SCHEMBL5453347 0.84 REV1 (0.76) ALDH1A1HTTNPSR1HPGDHSD17B10
SCHEMBL3916303 0.83 REV1 (0.79) ALDH1A1HPGDHSD17B10MAPTRAB9A
SCHEMBL5451305 0.81 MAPT (0.70) ALDH1A1HTTNPSR1HPGDHSD17B10
SCHEMBL3916246 0.81 MAPT (0.78) ALDH1A1HPGDHSD17B10MAPTRAB9A
SCHEMBL5456030 0.79 MAPT (0.70) ALDH1A1HPGDHSD17B10MAPTRAB9A
SCHEMBL10143922 0.79 MAPT (1.00) ALDH1A1HPGDHSD17B10TSHRMAPT
SCHEMBL5462746 0.78 MAPT (0.69) ALDH1A1HPGDHSD17B10MAPTRAB9A

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 1 patent. 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

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 1153/4885HTT 44/4885NPSR1 3733/4885

“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.