SCHEMBL1677065

SCHEMBL1677065

COc1cccc(NC(=O)NOC2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.56
EPHX1 P07099 2/20 0.56
HSD17B10 Q99714 1/20 0.53
LIPE Q05469 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
GAA P10253 2/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
USP2 O75604 1/20 0.50
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
XBP1 P17861 1/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL1676975 0.90 EPHX2 (0.56) EPHX2EPHX1LIPEMEN1KMT2A
SCHEMBL1677076 0.90 EPHX2 (0.66) EPHX2EPHX1LIPERAB9AGAA
SCHEMBL1676986 0.89 EPHX2 (0.55) EPHX2EPHX1LIPEGAAMEN1
SCHEMBL1677026 0.87 EPHX2 (0.53) EPHX2EPHX1LIPEGAAMEN1
SCHEMBL1677174 0.86 EPHX2 (0.63) EPHX2EPHX1LIPEGAAMEN1
SCHEMBL1677210 0.84 EPHX2 (0.61) EPHX2EPHX1LIPEGAAMAPT
SCHEMBL1677208 0.84 EPHX2 (0.61) EPHX2EPHX1LIPEGAAMAPT
SCHEMBL1677039 0.84 EPHX2 (0.56) EPHX2EPHX1LIPEGAAMEN1
SCHEMBL1676966 0.84 NPC1 (0.56) EPHX2EPHX1LIPENPC1RAB9A
SCHEMBL1677281 0.83 EPHX2 (0.62) EPHX2EPHX1LIPEGAAMEN1

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 1203/4885EPHX1 1083/4885HSD17B10 1536/4885

“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.