SCHEMBL1677040

SCHEMBL1677040

O=C(NOC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)NC1CCC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.67
EPHX1 P07099 5/20 0.62
LIPE Q05469 1/20 0.51
ALDH1A1 P00352 1/20 0.47
DPP4 P27487 1/20 0.47
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL1676948 0.98 EPHX2 (0.70) EPHX2EPHX1LIPEALDH1A1KMT2A
SCHEMBL1676922 0.97 EPHX2 (0.71) EPHX2EPHX1LIPEALDH1A1
SCHEMBL1677178 0.96 EPHX2 (0.64) EPHX2EPHX1LIPEDPP4MMP2
SCHEMBL1678133 0.91 EPHX2 (0.59) EPHX2EPHX1LIPEDPP4MEN1
SCHEMBL1676913 0.88 EPHX2 (0.63) EPHX2EPHX1LIPEDPP4MMP2
SCHEMBL1677075 0.84 EPHX2 (0.56) EPHX2EPHX1LIPEDPP4MMP2
SCHEMBL1677127 0.84 EPHX2 (0.53) EPHX2EPHX1LIPEDPP4MMP2
SCHEMBL1677118 0.83 EPHX2 (0.60) EPHX2EPHX1LIPEALDH1A1DPP4
SCHEMBL1677009 0.83 EPHX2 (0.58) EPHX2EPHX1LIPEALDH1A1DPP4
SCHEMBL2173168 0.83 EPHX2 (0.57) EPHX2EPHX1LIPEDPP4MMP2

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 1083/4885LIPE 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.