SCHEMBL1677146

SCHEMBL1677146

O=C(NOC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)Nc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.55
LIPE Q05469 1/20 0.55
EPHX1 P07099 2/20 0.52
CHRNB2 P17787 3/20 0.51
CHRNB4 P30926 3/20 0.51
CHRNA3 P32297 3/20 0.51
CHRNA4 P43681 3/20 0.51
ALDH1A1 P00352 3/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MMP2 P08253 1/20 0.48
MMP13 P45452 1/20 0.48
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL1677174 0.85 EPHX2 (0.63) EPHX2LIPEEPHX1CHRNB2CHRNB4
SCHEMBL1677160 0.83 EPHX2 (0.54) EPHX2LIPEEPHX1MMP2MMP13
SCHEMBL1676975 0.83 EPHX2 (0.56) EPHX2LIPEEPHX1ALDH1A1HTT
SCHEMBL1677076 0.83 EPHX2 (0.66) EPHX2LIPEEPHX1ALDH1A1MEN1
SCHEMBL1677178 0.82 EPHX2 (0.64) EPHX2LIPEEPHX1L3MBTL1MMP2
SCHEMBL1677114 0.82 EPHX1 (0.62) EPHX2LIPEEPHX1HTTLMNA
SCHEMBL1677281 0.82 EPHX2 (0.62) EPHX2LIPEEPHX1ALDH1A1MEN1
SCHEMBL1677075 0.81 EPHX2 (0.56) EPHX2LIPEEPHX1MMP2MMP13
SCHEMBL1677065 0.81 EPHX2 (0.56) EPHX2LIPEEPHX1ALDH1A1HTT
SCHEMBL1676986 0.81 EPHX2 (0.55) EPHX2LIPEEPHX1ALDH1A1HTT

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-8518934-B2 Oxycarbamoyl compounds and the use thereof SHONOGI & CO., LTD. (JP) 2013-08-27 US disclosed
EP-2346820-B1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO (JP) 2013-02-13 EP disclosed
EP-2346820-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF Shionogi & Co., Ltd. (JP) 2011-07-27 EP disclosed
US-20110098276-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2011-04-28 US disclosed
US-20110098276-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2011-04-28 US disclosed
WO-2009151152-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-12-17 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-20110098276-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF CACNA1B, ORAI1, CACNA1I EPHX2 1203/4885LIPE 4459/4885EPHX1 1083/4885

“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.