SCHEMBL5453301

SCHEMBL5453301

CC1CCc2c(sc(NC(=O)C3CCCC3)c2C(N)=O)C1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 3/20 0.76
MAPT P10636 5/20 0.70
DUSP3 P51452 1/20 0.70
PTPN5 P54829 1/20 0.70
PTPN11 Q06124 1/20 0.70
FLT3 P36888 1/20 0.65
ALDH1A1 P00352 4/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
POLB P06746 1/20 0.65
KDM4E B2RXH2 2/20 0.61
THRB P10828 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
HPGD P15428 1/20 0.59
ALOX15 P16050 1/20 0.59
HSD17B10 Q99714 1/20 0.59
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PDE4B Q07343 2/20 0.55

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
SCHEMBL5453347 0.98 REV1 (0.76) REV1MAPTDUSP3PTPN5PTPN11
SCHEMBL3916303 0.95 REV1 (0.79) REV1MAPTDUSP3PTPN5PTPN11
SCHEMBL5451305 0.85 MAPT (0.70) REV1MAPTDUSP3PTPN5PTPN11
SCHEMBL5455799 0.85 FLT3 (0.68) REV1MAPTDUSP3PTPN5PTPN11
SCHEMBL5451446 0.85 AIP (0.71) REV1MAPTDUSP3PTPN5PTPN11
SCHEMBL3916246 0.85 MAPT (0.78) REV1MAPTDUSP3PTPN5PTPN11
SCHEMBL5448366 0.84 ALDH1A1 (0.76) REV1MAPTDUSP3PTPN5PTPN11
SCHEMBL3128067 0.83 FLT3 (0.92) MAPTFLT3ALDH1A1RAB9APOLB
SCHEMBL8290403 0.83 FLT3 (0.87) MAPTFLT3ALDH1A1NPC1RAB9A
SCHEMBL10143922 0.82 MAPT (1.00) REV1MAPTDUSP3PTPN5PTPN11

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 5 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
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 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 REV1 1861/4885MAPT 21/4885DUSP3 110/4885

“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.