SCHEMBL1676975

SCHEMBL1676975

O=C(NOC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)Nc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
EPHX1 P07099 2/20 0.54
MAPT P10636 2/20 0.54
LIPE Q05469 1/20 0.53
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
XBP1 P17861 1/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
USP2 O75604 2/20 0.46
CYP2C9 P11712 2/20 0.46
HIF1A Q16665 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL1676986 0.90 EPHX2 (0.55) EPHX2MEN1KMT2AEPHX1MAPT
SCHEMBL1677065 0.90 EPHX2 (0.56) EPHX2MEN1KMT2AEPHX1MAPT
SCHEMBL1677174 0.89 EPHX2 (0.63) EPHX2MEN1KMT2AEPHX1LIPE
SCHEMBL1677026 0.88 EPHX2 (0.53) EPHX2MEN1KMT2AEPHX1MAPT
SCHEMBL1677076 0.85 EPHX2 (0.66) EPHX2MEN1KMT2AEPHX1MAPT
SCHEMBL1676966 0.85 NPC1 (0.56) EPHX2EPHX1LIPECYP1A2HTT
SCHEMBL1677281 0.84 EPHX2 (0.62) EPHX2MEN1KMT2AEPHX1MAPT
SCHEMBL1677114 0.84 EPHX1 (0.62) EPHX2KMT2AEPHX1MAPTLIPE
SCHEMBL1677020 0.83 EPHX2 (0.58) EPHX2MEN1KMT2AEPHX1LIPE
SCHEMBL1677021 0.83 EPHX2 (0.58) EPHX2MEN1KMT2AEPHX1LIPE

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 1203/4885MEN1 4208/4885KMT2A 4121/4885

“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.