SCHEMBL4581748

SCHEMBL4581748

O=C(Nc1ccccc1OC(F)(F)F)N(S)C1CCN(c2nccc3ccccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
MALT1 Q9UDY8 2/20 0.44
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
HRH4 Q9H3N8 1/20 0.38
HTR2C P28335 1/20 0.38
PAK1 Q13153 1/20 0.36
SORD Q00796 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
EPHX2 P34913 1/20 0.35
ATR Q13535 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
SCHEMBL4584132 0.82 HCAR2 (0.46) HCAR2MALT1DPP4DPP7HRH4
SCHEMBL4582824 0.81 HCAR2 (0.48) HCAR2MALT1DPP4DPP7HRH4
SCHEMBL4583187 0.81 UBE2M (0.39) UBE2MDCUN1D1MALT1EPHX2
SCHEMBL4584085 0.81 MALT1 (0.49) UBE2MDCUN1D1HCAR2MALT1DPP4
SCHEMBL4581740 0.81 ALDH1A1 (0.44) HCAR2MALT1PAK1KDM4E
SCHEMBL4583213 0.81 UBE2M (0.40) UBE2MDCUN1D1MALT1KDM4EEPHX2
SCHEMBL4584684 0.80 CYP1A2 (0.48) UBE2MDCUN1D1MALT1KDM4E
SCHEMBL4582277 0.80 UBE2M (0.39) UBE2MDCUN1D1MALT1TRPV1EPHX2
SCHEMBL4582530 0.78 KDM4E (0.47) UBE2MDCUN1D1KDM4E
SCHEMBL4584198 0.78 KDM4E (0.55) KDM4E

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 4103/4885HCAR2 39/4885

“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.