SCHEMBL1677168

SCHEMBL1677168

CCCCNC(=O)NO[C@H]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
CACNA1B Q00975 2/20 0.47
KMT2A Q03164 2/20 0.47
CNR1 P21554 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 3/20 0.45
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1677169 1.00 PKM (0.49) PKMCACNA1BKMT2ACNR1GAA
SCHEMBL1677194 1.00 PKM (0.49) PKMCACNA1BKMT2ACNR1GAA
SCHEMBL1676965 0.95 KMT2A (0.48) PKMCACNA1BKMT2ACNR1GAA
SCHEMBL1677196 0.95 PKM (0.53) PKMCACNA1BKMT2ACNR1GAA
SCHEMBL1676962 0.95 KMT2A (0.48) PKMCACNA1BKMT2ACNR1GAA
SCHEMBL1676990 0.95 KMT2A (0.48) PKMCACNA1BKMT2ACNR1GAA
SCHEMBL1677074 0.91 KMT2A (0.49) PKMCACNA1BKMT2ACNR1GAA
SCHEMBL1677119 0.91 KMT2A (0.49) PKMCACNA1BKMT2ACNR1GAA
SCHEMBL1677073 0.91 KMT2A (0.49) PKMCACNA1BKMT2ACNR1GAA
SCHEMBL1677112 0.89 CNR1 (0.52) PKMCACNA1BKMT2ACNR1GAA

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 5 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
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

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 3198/4885CACNA1B 1/4885KMT2A 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.