SCHEMBL1676985

SCHEMBL1676985

COCCNC(=O)NOC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.52
EPHX1 P07099 2/20 0.52
HPGD P15428 1/20 0.51
LIPE Q05469 1/20 0.48
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PKM P14618 2/20 0.44
DPP4 P27487 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 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
SCHEMBL1677213 0.90 EPHX2 (0.53) EPHX2EPHX1LIPEMMP2MMP13
SCHEMBL1677133 0.89 EPHX2 (0.52) EPHX2EPHX1LIPEMMP2MMP13
SCHEMBL1677124 0.89 EPHX2 (0.52) EPHX2EPHX1LIPEMMP2MMP13
SCHEMBL1677127 0.86 EPHX2 (0.53) EPHX2EPHX1LIPEMMP2MMP13
SCHEMBL1677116 0.86 EPHX2 (0.49) EPHX2EPHX1LIPEMMP2MMP13
SCHEMBL1677090 0.85 EPHX2 (0.52) EPHX2EPHX1LIPEMMP2MMP13
SCHEMBL1677033 0.85 PKM (0.54) EPHX2EPHX1KMT2APKMMAPT
SCHEMBL1677009 0.84 EPHX2 (0.58) EPHX2EPHX1LIPEMMP2MMP13
SCHEMBL1677075 0.83 EPHX2 (0.56) EPHX2EPHX1LIPEMMP2MMP13
SCHEMBL1677076 0.83 EPHX2 (0.66) EPHX2EPHX1LIPEMEN1KMT2A

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 1083/4885HPGD 775/4885

“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.