SCHEMBL1677067

SCHEMBL1677067

O=C(NCCC(F)(F)F)NOC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.52
PKM P14618 1/20 0.50
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 2/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL1677112 0.91 CNR1 (0.52) CNR1PKMKMT2ASMN1; SMN2LMNA
SCHEMBL1676951 0.90 CNR1 (0.53) CNR1PKMKMT2ASMN1; SMN2HTT
SCHEMBL1677196 0.89 PKM (0.53) CNR1PKMKMT2ASMN1; SMN2LMNA
SCHEMBL1676988 0.89 CNR1 (0.53) CNR1PKMKMT2ASMN1; SMN2HTT
SCHEMBL1677238 0.88 CNR1 (0.52) CNR1PKMKMT2ASMN1; SMN2HTT
SCHEMBL1676990 0.85 KMT2A (0.48) CNR1PKMKMT2ASMN1; SMN2LMNA
SCHEMBL1676962 0.85 KMT2A (0.48) CNR1PKMKMT2ASMN1; SMN2LMNA
SCHEMBL1676965 0.85 KMT2A (0.48) CNR1PKMKMT2ASMN1; SMN2LMNA
SCHEMBL1676972 0.85 TP53 (0.53) CNR1PKMKMT2AHTTLMNA
SCHEMBL1677084 0.84 TP53 (0.54) CNR1PKMKMT2AHTTL3MBTL1

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 CNR1 65/4885PKM 3198/4885KMT2A 4121/4885

“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.