SCHEMBL2494500

SCHEMBL2494500

O=C(O)c1[nH]c2cc(OC(F)(F)F)ccc2c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 1/20 0.55
KIF11 P52732 1/20 0.52
RHEB Q15382 2/20 0.44
GPR17 Q13304 2/20 0.43
GSK3B P49841 1/20 0.42
RUNX1 Q01196 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
KDM4E B2RXH2 3/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
PIM1 P11309 1/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL31025911 0.86 KIF11 (0.52) EIF4A3KIF11RHEBGPR17GSK3B
SCHEMBL9662514 0.81 PTGS2 (0.54) KIF11GPR17KDM4EPTGS1PTGS2
SCHEMBL9185752 0.79 GPR17 (0.72) GPR17KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2490053 0.77 EIF4A3 (0.65) EIF4A3GPR17KDM4ETDO2KMT2A
SCHEMBL6333942 0.76 KDM4E (0.57) KIF11RHEBGSK3BRUNX1EGLN1
SCHEMBL28207448 0.76 KIF11 (0.51) KIF11RHEBGSK3BRUNX1EGLN1
SCHEMBL9661003 0.76 GPR17 (0.48) GPR17KMT2AALDH1A1ALOX15HSD17B10
SCHEMBL20534734 0.74 EIF4A3 (0.61) EIF4A3GPR17KMT2ANPSR1
SCHEMBL11995204 0.74 EIF4A3 (0.66) EIF4A3KIF11KDM4EKMT2AALDH1A1
SCHEMBL17417643 0.74 ALDH1A1 (0.52) KIF11RUNX1KMT2AALDH1A1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541585-B2 N-acyl cyclic amine derivative or pharmaceutically acceptable salt thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-09-24 US disclosed
US-8541585-B2 N-acyl cyclic amine derivative or pharmaceutically acceptable salt thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-09-24 US disclosed
EP-2545046-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-01-16 EP disclosed
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. 2012-08-23 US disclosed
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. 2012-08-23 US disclosed
WO-2011111875-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 WO disclosed
WO-2011111875-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 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-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF GRIN2C, GRIN2A, GRIN2B EIF4A3 2833/4885KIF11 3559/4885RHEB 891/4885

“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.