SCHEMBL4584198

SCHEMBL4584198

O=C(Nc1ccccc1OC(F)(F)F)N(S)C1CCN(c2ccnc3cc(Cl)ccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
MAPK1 P28482 4/20 0.55
MAPT P10636 3/20 0.55
NPSR1 Q6W5P4 2/20 0.48
PDGFRB P09619 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
IDE P14735 1/20 0.45

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
SCHEMBL4582530 0.94 KDM4E (0.47) KDM4EMAPK1MAPTNPSR1PDGFRB
SCHEMBL4584684 0.87 CYP1A2 (0.48) KDM4EMAPK1MAPTPDGFRB
SCHEMBL4583213 0.85 UBE2M (0.40) KDM4EMAPK1MAPT
SCHEMBL4582815 0.84 MAPK1 (0.51) KDM4EMAPK1MAPTPDGFRBALDH1A1
SCHEMBL4584191 0.84 KDM4E (0.53) KDM4EMAPK1MAPTNPSR1NPC1
SCHEMBL4583027 0.83 ALDH1A1 (0.53) KDM4EMAPK1MAPTNPSR1PDGFRB
SCHEMBL4581522 0.83 PDGFRB (0.58) KDM4EMAPK1MAPTNPSR1PDGFRB
SCHEMBL4582320 0.79 KDM4E (0.53) KDM4EMAPK1MAPTPDGFRBNPC1
SCHEMBL4581748 0.78 UBE2M (0.44) KDM4E
SCHEMBL4583300 0.78 GAA (0.57) KDM4EMAPK1MAPTNPSR1PDGFRB

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 KDM4E 4022/4885MAPK1 2377/4885MAPT 4796/4885

“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.