SCHEMBL1677167

SCHEMBL1677167

O=C(NOC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
XBP1 P17861 1/20 0.52
HTT P42858 1/20 0.52
CNR1 P21554 1/20 0.49
RHOA P61586 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
EPHX2 P34913 1/20 0.46
LMNA P02545 4/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45

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
SCHEMBL1677177 1.00 MAPT (0.52) MAPTXBP1HTTCNR1RHOA
SCHEMBL1677165 1.00 MAPT (0.52) MAPTXBP1HTTCNR1RHOA
SCHEMBL1677077 0.94 MAPT (0.55) MAPTXBP1HTTCNR1RHOA
SCHEMBL12735663 0.94 L3MBTL1 (0.50) MAPTXBP1HTTCNR1RHOA
SCHEMBL12735653 0.94 L3MBTL1 (0.50) MAPTXBP1HTTCNR1RHOA
SCHEMBL1676914 0.93 HTT (0.52) MAPTXBP1HTTCNR1RHOA
SCHEMBL1676916 0.93 HTT (0.52) MAPTXBP1HTTCNR1RHOA
SCHEMBL1677206 0.93 HTT (0.52) MAPTXBP1HTTCNR1RHOA
SCHEMBL12735660 0.91 MAPT (0.57) MAPTXBP1HTTCNR1L3MBTL1
SCHEMBL1677215 0.91 MAPT (0.57) MAPTXBP1HTTCNR1L3MBTL1

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 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.