SCHEMBL1676993

SCHEMBL1676993

O=C(NOC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.58
KMT2A Q03164 2/20 0.57
CNR1 P21554 1/20 0.53
HTT P42858 2/20 0.53
MAPT P10636 1/20 0.53
XBP1 P17861 1/20 0.53
USP5 P45974 1/20 0.51
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
HSD11B1 P28845 1/20 0.48
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL1677109 0.94 TP53 (0.54) TP53KMT2ACNR1HTTMAPT
SCHEMBL1677145 0.94 TP53 (0.54) TP53KMT2ACNR1HTTMAPT
SCHEMBL1677110 0.94 TP53 (0.54) TP53KMT2ACNR1HTTMAPT
SCHEMBL1677048 0.92 CNR1 (0.57) TP53KMT2ACNR1HTTUSP5
SCHEMBL1676917 0.91 CNR1 (0.52) TP53KMT2ACNR1HTTUSP5
SCHEMBL1677010 0.87 TP53 (0.56) TP53KMT2ACNR1HTTMAPT
SCHEMBL1676994 0.87 MAPT (0.61) TP53KMT2ACNR1HTTMAPT
SCHEMBL1677032 0.84 CNR1 (0.49) TP53KMT2ACNR1LMNAL3MBTL1
SCHEMBL1677036 0.84 TP53 (0.54) TP53KMT2ACNR1HTTMAPT
SCHEMBL1677202 0.84 TP53 (0.54) TP53KMT2ACNR1HTTMAPT

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 TP53 4849/4885KMT2A 4121/4885CNR1 65/4885

“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.