SCHEMBL4583159

SCHEMBL4583159

COc1ccc(NC(=O)N(S)C2CCN(c3nccc4ccccc34)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.54
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
PDGFRB P09619 2/20 0.43
PAK1 Q13153 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
ACACB O00763 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCHR1 Q99705 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4583606 0.90 MALT1 (0.53) MALT1TP53DRD2DRD4UBE2M
SCHEMBL4582824 0.89 HCAR2 (0.48) MALT1DRD2DRD4PDGFRBHRH4
SCHEMBL4582077 0.87 MALT1 (0.47) MALT1PDGFRBHRH4ACACBHCAR2
SCHEMBL4583259 0.85 JAK2 (0.48) MALT1PDGFRBHRH4HCAR2
SCHEMBL4584341 0.81 MALT1 (0.47) MALT1HRH4UBE2MDCUN1D1NPC1
SCHEMBL4584132 0.80 HCAR2 (0.46) MALT1PAK1HRH4ACACBHCAR2
SCHEMBL4583985 0.79 JAK2 (0.51) MALT1TP53DCUN1D1HCAR2CCNC
SCHEMBL4581982 0.79 ALDH1A1 (0.42) MALT1PDGFRBNPC1RAB9AMCHR1
SCHEMBL4583157 0.78 MALT1 (0.51) MALT1L3MBTL1PAK1ALDH1A1MAPT
SCHEMBL4583950 0.78 PDGFRB (0.43) TP53PDGFRBPAK1POLBNPSR1

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-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor BAYER SCHERING PHARMA AG (DE) 2008-05-29 US claimed
EP-1903037-A1 1-(hetero)aryl-3-[heteroaryl-piperidin-4yl]-thiourea derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP claimed
WO-2008028690-A1 1-(HET)ARYL-3-[HETARYL-PIPERIDIN-4-YL]-THIOUREAS AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO claimed
US-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor BAYER SCHERING PHARMA AG (DE) 2008-05-29 US disclosed
EP-1903037-A1 1-(hetero)aryl-3-[heteroaryl-piperidin-4yl]-thiourea derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP 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-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor PTGER2, PTGER1, PTGES2 MALT1 628/4885TP53 4697/4885L3MBTL1 4512/4885

“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.