SCHEMBL1676994

SCHEMBL1676994

O=C(NOC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
XBP1 P17861 1/20 0.61
HTT P42858 1/20 0.61
TP53 P04637 1/20 0.56
EPHX2 P34913 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CNR1 P21554 1/20 0.52
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 3/20 0.48
GAA P10253 2/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
EPHX1 P07099 1/20 0.47
MEN1 O00255 2/20 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
SCHEMBL1677214 0.94 MAPT (0.57) MAPTXBP1HTTTP53EPHX2
SCHEMBL1677215 0.94 MAPT (0.57) MAPTXBP1HTTTP53EPHX2
SCHEMBL12735660 0.94 MAPT (0.57) MAPTXBP1HTTTP53EPHX2
SCHEMBL1676920 0.92 HTT (0.55) MAPTXBP1HTTTP53EPHX2
SCHEMBL1677077 0.90 MAPT (0.55) MAPTXBP1HTTTP53EPHX2
SCHEMBL1676916 0.87 HTT (0.52) MAPTXBP1HTTEPHX2ALDH1A1
SCHEMBL1676914 0.87 HTT (0.52) MAPTXBP1HTTEPHX2ALDH1A1
SCHEMBL1677206 0.87 HTT (0.52) MAPTXBP1HTTEPHX2ALDH1A1
SCHEMBL1676993 0.87 TP53 (0.58) MAPTXBP1HTTTP53ALDH1A1
SCHEMBL1677084 0.86 TP53 (0.54) MAPTXBP1HTTTP53ALDH1A1

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 MAPT 1884/4885XBP1 893/4885HTT 2692/4885

“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.