SCHEMBL1677161

SCHEMBL1677161

NO[C@H]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
EPHX2 P34913 3/20 0.52
DPP4 P27487 1/20 0.52
LIPE Q05469 2/20 0.49
EPHX1 P07099 2/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FPR2 P25090 2/20 0.46
PROKR1 Q8TCW9 2/20 0.46
SCN9A Q15858 1/20 0.45
HTR2A P28223 1/20 0.44

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
SCHEMBL1677164 1.00 MEN1 (0.58) MEN1KMT2AEPHX2DPP4LIPE
SCHEMBL1677120 0.92 EPHX2 (0.57) MEN1KMT2AEPHX2DPP4LIPE
SCHEMBL7949461 0.82 HSD11B1 (0.60) MEN1KMT2AEPHX2LIPEEPHX1
SCHEMBL7955680 0.82 MEN1 (0.60) MEN1KMT2AEPHX2DPP4LIPE
SCHEMBL2171815 0.81 EPHX2 (0.61) MEN1KMT2AEPHX2DPP4LIPE
SCHEMBL19215178 0.81 MEN1 (0.62) MEN1KMT2AEPHX2DPP4LIPE
SCHEMBL1676915 0.79 EPHX2 (0.62) MEN1KMT2AEPHX2DPP4LIPE
SCHEMBL1677210 0.77 EPHX2 (0.61) EPHX2DPP4LIPEEPHX1GAA
SCHEMBL1677208 0.77 EPHX2 (0.61) EPHX2DPP4LIPEEPHX1GAA
SCHEMBL1677021 0.77 EPHX2 (0.58) MEN1KMT2AEPHX2DPP4LIPE

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 3 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

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 MEN1 4208/4885KMT2A 4121/4885EPHX2 1203/4885

“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.