SCHEMBL1676986

SCHEMBL1676986

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.55
EPHX1 P07099 3/20 0.54
KMT2A Q03164 5/20 0.52
MAPT P10636 5/20 0.52
MEN1 O00255 3/20 0.52
GAA P10253 2/20 0.52
USP2 O75604 1/20 0.52
LIPE Q05469 1/20 0.52
HTT P42858 4/20 0.48
LMNA P02545 3/20 0.48
MITF O75030 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
XBP1 P17861 1/20 0.47
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43

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) EPHX2EPHX1KMT2AMAPTMEN1
SCHEMBL1677065 0.89 EPHX2 (0.56) EPHX2EPHX1KMT2AMAPTMEN1
SCHEMBL1677281 0.89 EPHX2 (0.62) EPHX2EPHX1KMT2AMAPTMEN1
SCHEMBL1677026 0.87 EPHX2 (0.53) EPHX2EPHX1KMT2AMAPTMEN1
SCHEMBL1677076 0.84 EPHX2 (0.66) EPHX2EPHX1KMT2AMAPTMEN1
SCHEMBL1677174 0.84 EPHX2 (0.63) EPHX2EPHX1KMT2AMEN1GAA
SCHEMBL1676966 0.84 NPC1 (0.56) EPHX2EPHX1LIPEHTTLMNA
SCHEMBL1677114 0.83 EPHX1 (0.62) EPHX2EPHX1KMT2AMAPTGAA
SCHEMBL1677205 0.81 EPHX2 (0.59) EPHX2EPHX1KMT2AMAPTMEN1
SCHEMBL1677146 0.81 EPHX2 (0.55) EPHX2EPHX1KMT2AMAPTMEN1

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 4 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
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

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 1083/4885KMT2A 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.