SCHEMBL1677208

SCHEMBL1677208

COc1ccc(NC(=O)NO[C@H]2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.61
EPHX1 P07099 3/20 0.61
GAA P10253 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
LIPE Q05469 1/20 0.55
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
PKM P14618 1/20 0.48
DPP4 P27487 1/20 0.48
MMP1 P03956 1/20 0.48
MMP9 P14780 1/20 0.48
MMP13 P45452 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL1677210 1.00 EPHX2 (0.61) EPHX2EPHX1GAACYP1A2CYP3A4
SCHEMBL1677076 0.94 EPHX2 (0.66) EPHX2EPHX1GAACYP1A2CYP3A4
SCHEMBL12735691 0.94 EPHX2 (0.70) EPHX2EPHX1GAACYP1A2CYP3A4
SCHEMBL1677020 0.93 EPHX2 (0.58) EPHX2EPHX1LIPESMN1; SMN2DPP4
SCHEMBL1677021 0.93 EPHX2 (0.58) EPHX2EPHX1LIPESMN1; SMN2DPP4
SCHEMBL1677174 0.87 EPHX2 (0.63) EPHX2EPHX1GAACYP1A2CYP3A4
SCHEMBL1677281 0.86 EPHX2 (0.62) EPHX2EPHX1GAACYP1A2CYP3A4
SCHEMBL1677065 0.84 EPHX2 (0.56) EPHX2EPHX1GAALIPEMAPT
SCHEMBL1677114 0.84 EPHX1 (0.62) EPHX2EPHX1GAACYP1A2CYP3A4
SCHEMBL16457542 0.83 EPHX2 (0.61) EPHX2EPHX1GAACYP1A2CYP3A4

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 5 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-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 1083/4885GAA 3010/4885

“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.