SCHEMBL1676922

SCHEMBL1676922

O=C(NOC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)NC1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.71
EPHX1 P07099 3/20 0.61
ALDH1A1 P00352 2/20 0.51
LIPE Q05469 1/20 0.50
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL1676948 0.99 EPHX2 (0.70) EPHX2EPHX1ALDH1A1LIPELMNA
SCHEMBL1677040 0.97 EPHX2 (0.67) EPHX2EPHX1ALDH1A1LIPE
SCHEMBL1677178 0.95 EPHX2 (0.64) EPHX2EPHX1LIPE
SCHEMBL1678133 0.90 EPHX2 (0.59) EPHX2EPHX1LIPE
SCHEMBL1676913 0.87 EPHX2 (0.63) EPHX2EPHX1LIPE
SCHEMBL1677009 0.86 EPHX2 (0.58) EPHX2EPHX1ALDH1A1LIPE
SCHEMBL1677118 0.85 EPHX2 (0.60) EPHX2EPHX1ALDH1A1LIPE
SCHEMBL1677075 0.84 EPHX2 (0.56) EPHX2EPHX1LIPE
SCHEMBL1677127 0.83 EPHX2 (0.53) EPHX2EPHX1LIPE
SCHEMBL2173168 0.82 EPHX2 (0.57) EPHX2EPHX1LIPE

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 1083/4885ALDH1A1 2177/4885

“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.