SCHEMBL1677009

SCHEMBL1677009

O=C(NCC1CCCCC1)NOC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.58
EPHX1 P07099 2/20 0.50
LIPE Q05469 1/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
DPP4 P27487 1/20 0.45
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
TGM2 P21980 1/20 0.42

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
SCHEMBL1677090 0.96 EPHX2 (0.52) EPHX2EPHX1LIPEALDH1A1L3MBTL1
SCHEMBL1677124 0.87 EPHX2 (0.52) EPHX2EPHX1LIPEL3MBTL1DPP4
SCHEMBL1677130 0.87 EPHX2 (0.52) EPHX2EPHX1LIPEALDH1A1L3MBTL1
SCHEMBL1677127 0.87 EPHX2 (0.53) EPHX2EPHX1LIPEDPP4MMP2
SCHEMBL1676991 0.86 ALDH1A1 (0.57) EPHX2EPHX1ALDH1A1KDM4EL3MBTL1
SCHEMBL1676922 0.86 EPHX2 (0.71) EPHX2EPHX1LIPEALDH1A1
SCHEMBL1677133 0.85 EPHX2 (0.52) EPHX2EPHX1LIPEL3MBTL1DPP4
SCHEMBL1677213 0.85 EPHX2 (0.53) EPHX2EPHX1LIPEL3MBTL1DPP4
SCHEMBL1676948 0.85 EPHX2 (0.70) EPHX2EPHX1LIPEALDH1A1KMT2A
SCHEMBL1676985 0.84 EPHX2 (0.52) 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 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.