SCHEMBL4583213

SCHEMBL4583213

O=C(Nc1ccccc1OC(F)(F)F)N(S)C1CCN(c2ccnc3c(Cl)cccc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
MAP4K4 O95819 1/20 0.37
CSNK2A1 P68400 1/20 0.37
HIPK4 Q8NE63 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
PRKCQ Q04759 5/20 0.37
PRKCA P17252 4/20 0.37
FLT3 P36888 3/20 0.37
GSK3B P49841 3/20 0.37
HTR2B P41595 1/20 0.37
P2RX7 Q99572 1/20 0.36
CXCR2 P25025 2/20 0.36
NCF1 P14598 1/20 0.36
SSTR4 P31391 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL4583284 0.85 POLB (0.39) UBE2MDCUN1D1MAP4K4CSNK2A1HIPK4
SCHEMBL4582530 0.85 KDM4E (0.47) UBE2MDCUN1D1KDM4EMAPTMAPK1
SCHEMBL4584198 0.85 KDM4E (0.55) KDM4EMAPTMAPK1
SCHEMBL4583208 0.83 ALDH1A1 (0.42)
SCHEMBL4583179 0.83 ALDH1A1 (0.40) MALT1KDM4EMAPTNCF1
SCHEMBL4582723 0.83 MALT1 (0.44) MALT1HTR2B
SCHEMBL4581748 0.81 UBE2M (0.44) UBE2MDCUN1D1MALT1KDM4EEPHX2
SCHEMBL4583692 0.79 MEN1 (0.49) MALT1KDM4EMAPT
SCHEMBL4581982 0.78 ALDH1A1 (0.42) MALT1MAPK1
SCHEMBL4778924 0.77 SMN1; SMN2 (0.41) UBE2MDCUN1D1KDM4EMAPTMAPK1

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-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
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 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 UBE2M 3488/4885DCUN1D1 4103/4885MALT1 628/4885

“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.