SCHEMBL2481244

SCHEMBL2481244

O=C(O)CNC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.58
PSMB11 A5LHX3 4/20 0.57
PSMA7 O14818 4/20 0.57
PSMB1 P20618 4/20 0.57
PSMA1 P25786 4/20 0.57
PSMA2 P25787 4/20 0.57
PSMA3 P25788 4/20 0.57
PSMA4 P25789 4/20 0.57
PSMB8 P28062 4/20 0.57
PSMB9 P28065 4/20 0.57
PSMA5 P28066 4/20 0.57
PSMB4 P28070 4/20 0.57
PSMB6 P28072 4/20 0.57
PSMB5 P28074 4/20 0.57
PSMB10 P40306 4/20 0.57
PSMB3 P49720 4/20 0.57
PSMB2 P49721 4/20 0.57
PSMA6 P60900 4/20 0.57
PSMA8 Q8TAA3 4/20 0.57
PSMB7 Q99436 4/20 0.57

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
SCHEMBL21841270 0.85 DDR1 (0.51) CES2PSMB11PSMA7PSMB1PSMA1
SCHEMBL2483079 0.84 JAK2 (0.56) EGLN1SORT1MCL1TDP1
SCHEMBL13753088 0.83 CES2 (0.60) CES2PSMB11PSMA7PSMB1PSMA1
SCHEMBL5220850 0.81 CES2 (0.66) CES2PSMB11PSMA7PSMB1PSMA1
SCHEMBL10888620 0.81 EGLN1 (0.46) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL13753149 0.81 POLB (0.59) CES2PSMB11PSMA7PSMB1PSMA1
SCHEMBL4007613 0.80 GAA (0.62) EGLN1POLB
SCHEMBL10777286 0.79 PPARG (0.46) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL3888117 0.78 CCR2 (0.50) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL2481837 0.78 PSMB11 (0.53) CES2PSMB11PSMA7PSMB1PSMA1

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
EP-2376475-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-09-02 EP disclosed
US-8450304-B2 4-azetidinyl-1-heteroaryl-cyclohexanol antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-28 US disclosed
CN-102317278-A The 4-azetidinyl of CCR2-1-heteroaryl-hexalin antagonist JANSSEN PHARMACEUTICA NV 2012-01-11 CN disclosed
EP-2376475-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 Janssen Pharmaceutica N.V. (BE) 2011-10-19 EP disclosed
WO-2010068663-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-06-17 WO disclosed
US-20100144695-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-10 US 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-20100144695-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 CCR2, CCR1, CCRL2 CES2 846/4885PSMB11 3216/4885PSMA7 3816/4885

“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.