SCHEMBL1677048

SCHEMBL1677048

O=C(NOC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.57
LMNA P02545 3/20 0.53
TP53 P04637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.50
TRPV4 Q9HBA0 1/20 0.50
USP5 P45974 1/20 0.49
GALK1 P51570 1/20 0.48

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
SCHEMBL1676993 0.92 TP53 (0.58) CNR1LMNATP53L3MBTL1SMN1; SMN2
SCHEMBL1677032 0.92 CNR1 (0.49) CNR1LMNATP53L3MBTL1SMN1; SMN2
SCHEMBL1676917 0.91 CNR1 (0.52) CNR1LMNATP53L3MBTL1SMN1; SMN2
SCHEMBL1677101 0.87 CNR1 (0.60) CNR1LMNATP53L3MBTL1SMN1; SMN2
SCHEMBL1677145 0.86 TP53 (0.54) CNR1LMNATP53L3MBTL1SMN1; SMN2
SCHEMBL1677109 0.86 TP53 (0.54) CNR1LMNATP53L3MBTL1SMN1; SMN2
SCHEMBL1677110 0.86 TP53 (0.54) CNR1LMNATP53L3MBTL1SMN1; SMN2
SCHEMBL1677199 0.85 HTT (0.57) CNR1LMNATP53L3MBTL1SMN1; SMN2
SCHEMBL1677158 0.85 KMT2A (0.63) CNR1LMNATP53L3MBTL1KMT2A
SCHEMBL1677162 0.84 KMT2A (0.57) CNR1LMNATP53L3MBTL1KMT2A

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 65/4885LMNA 2932/4885TP53 4849/4885

“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.