SCHEMBL1677281

SCHEMBL1677281

O=C(NOC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)Nc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.62
EPHX1 P07099 4/20 0.62
LIPE Q05469 1/20 0.58
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
CYP2C19 P33261 1/20 0.48
TP53 P04637 1/20 0.48
FAAH O00519 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALOX12 P18054 1/20 0.47

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 0.91 EPHX2 (0.63) EPHX2EPHX1LIPESMN1; SMN2ALDH1A1
SCHEMBL1677076 0.91 EPHX2 (0.66) EPHX2EPHX1LIPEMAPTSMN1; SMN2
SCHEMBL1676986 0.89 EPHX2 (0.55) EPHX2EPHX1LIPEMAPTALDH1A1
SCHEMBL1677114 0.89 EPHX1 (0.62) EPHX2EPHX1LIPEMAPTSMN1; SMN2
SCHEMBL1677205 0.88 EPHX2 (0.59) EPHX2EPHX1LIPEMAPTSMN1; SMN2
SCHEMBL1677021 0.86 EPHX2 (0.58) EPHX2EPHX1LIPESMN1; SMN2FAAH
SCHEMBL1677208 0.86 EPHX2 (0.61) EPHX2EPHX1LIPEMAPTSMN1; SMN2
SCHEMBL1677210 0.86 EPHX2 (0.61) EPHX2EPHX1LIPEMAPTSMN1; SMN2
SCHEMBL1677020 0.86 EPHX2 (0.58) EPHX2EPHX1LIPESMN1; SMN2FAAH
SCHEMBL12735691 0.85 EPHX2 (0.70) EPHX2EPHX1LIPEMAPTSMN1; SMN2

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 1083/4885LIPE 4459/4885

“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.