SCHEMBL1677196

SCHEMBL1677196

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
KMT2A Q03164 2/20 0.50
CNR1 P21554 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 3/20 0.46
CACNA1B Q00975 1/20 0.46
TP53 P04637 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
SCHEMBL1677194 0.95 PKM (0.49) PKMKMT2ACNR1L3MBTL1GAA
SCHEMBL1677168 0.95 PKM (0.49) PKMKMT2ACNR1L3MBTL1GAA
SCHEMBL1677169 0.95 PKM (0.49) PKMKMT2ACNR1L3MBTL1GAA
SCHEMBL1677112 0.94 CNR1 (0.52) PKMKMT2ACNR1L3MBTL1GAA
SCHEMBL1676988 0.91 CNR1 (0.53) PKMKMT2ACNR1L3MBTL1GAA
SCHEMBL1676962 0.89 KMT2A (0.48) PKMKMT2ACNR1L3MBTL1GAA
SCHEMBL1676990 0.89 KMT2A (0.48) PKMKMT2ACNR1L3MBTL1GAA
SCHEMBL1676965 0.89 KMT2A (0.48) PKMKMT2ACNR1L3MBTL1GAA
SCHEMBL1677067 0.89 CNR1 (0.52) PKMKMT2ACNR1L3MBTL1GAA
SCHEMBL1676951 0.87 CNR1 (0.53) PKMKMT2ACNR1L3MBTL1GAA

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 PKM 3198/4885KMT2A 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.