SCHEMBL5453489

SCHEMBL5453489

NC(=O)c1c(NC(=O)Oc2ccccc2)sc2cc(O)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
ALDH1A1 P00352 7/20 0.43
CNR2 P34972 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 4/20 0.39
KMT2A Q03164 3/20 0.39
USP2 O75604 1/20 0.39
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
CYP1A2 P05177 1/20 0.37
RAD51 Q06609 1/20 0.36
GLA P06280 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
CASP6 P55212 1/20 0.36
GFER P55789 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL5456037 0.84 MAOA (0.45) ALDH1A1HSD17B10MAPTKMT2ACYP1A2
SCHEMBL5451109 0.81 MEN1 (0.56) TRPV1ALDH1A1MAPTKDM4EGAA
SCHEMBL5462756 0.80 ESR1 (0.39) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL5460519 0.78 ESR1 (0.39) MAPTKDM4ENPSR1
SCHEMBL19352848 0.77 KMT2A (0.38) MAPTKMT2ACYP1A2NPSR1
SCHEMBL5455873 0.75 ESR1 (0.40) NPSR1
SCHEMBL5450964 0.74 FLT3 (0.48) MAPTGFERCDK2
SCHEMBL3073320 0.74 ALDH1A1 (0.60) TRPV1ALDH1A1CNR2HSD17B10MAPT
SCHEMBL5446195 0.73 MEN1 (0.45) TRPV1ALDH1A1MAPTKDM4EGAA
SCHEMBL5467623 0.72 KDR (0.42) TRPV1ALDH1A1MAPTKDM4EGAA

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 disclosed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
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
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 TRPV1 1381/4885ALDH1A1 1153/4885CNR2 2272/4885

“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.