SCHEMBL1676917

SCHEMBL1676917

O=C(NOC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.52
USP5 P45974 1/20 0.50
LMNA P02545 4/20 0.48
MGLL Q99685 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 1/20 0.48
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTT P42858 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
SCHEMBL1676993 0.91 TP53 (0.58) CNR1USP5LMNAL3MBTL1TP53
SCHEMBL1677048 0.91 CNR1 (0.57) CNR1USP5LMNAL3MBTL1TP53
SCHEMBL1677110 0.86 TP53 (0.54) CNR1USP5LMNAL3MBTL1TP53
SCHEMBL1677145 0.86 TP53 (0.54) CNR1USP5LMNAL3MBTL1TP53
SCHEMBL1677109 0.86 TP53 (0.54) CNR1USP5LMNAL3MBTL1TP53
SCHEMBL1677032 0.83 CNR1 (0.49) CNR1LMNAL3MBTL1TP53KMT2A
SCHEMBL1677101 0.83 CNR1 (0.60) CNR1LMNAL3MBTL1TP53KMT2A
SCHEMBL1677199 0.81 HTT (0.57) CNR1LMNAL3MBTL1TP53KMT2A
SCHEMBL1677158 0.80 KMT2A (0.63) CNR1LMNAL3MBTL1TP53KMT2A
SCHEMBL1676988 0.80 CNR1 (0.53) CNR1LMNAL3MBTL1TP53KMT2A

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 65/4885USP5 3156/4885LMNA 2932/4885

“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.