SCHEMBL4582530

SCHEMBL4582530

O=C(Nc1ccccc1OC(F)(F)F)N(S)C1CCN(c2ccnc3ccc(Cl)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
MAPK1 P28482 3/20 0.47
PDGFRB P09619 2/20 0.47
CYP8B1 Q9UNU6 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4584198 0.94 KDM4E (0.55) KDM4EMAPTMAPK1PDGFRBNPSR1
SCHEMBL4583213 0.85 UBE2M (0.40) KDM4EMAPTMAPK1UBE2MDCUN1D1
SCHEMBL4583312 0.84 PDGFRB (0.47) KDM4EMAPTMAPK1PDGFRBCYP8B1
SCHEMBL4582522 0.84 KDM4E (0.46) KDM4EMAPTMAPK1PDGFRB
SCHEMBL4582933 0.83 PDGFRB (0.47) KDM4EMAPTMAPK1PDGFRBCYP8B1
SCHEMBL4583524 0.83 PDGFRB (0.58) KDM4EMAPTPDGFRBNPSR1ALDH1A1
SCHEMBL4584684 0.82 CYP1A2 (0.48) KDM4EMAPTMAPK1PDGFRBUBE2M
SCHEMBL4583861 0.79 PDGFRB (0.52) KDM4EMAPTMAPK1PDGFRBNPC1
SCHEMBL4581748 0.78 UBE2M (0.44) KDM4EUBE2MDCUN1D1
SCHEMBL4583204 0.78 PDGFRB (0.56) KDM4EMAPTPDGFRBNPSR1

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 4022/4885MAPT 4796/4885MAPK1 2377/4885

“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.