SCHEMBL1677199

SCHEMBL1677199

O=C(NOC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)NC1CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
MAPT P10636 1/20 0.57
XBP1 P17861 1/20 0.57
CNR1 P21554 1/20 0.55
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 4/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
EPHX1 P07099 1/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL1676958 0.95 CNR1 (0.60) HTTMAPTXBP1CNR1LMNA
SCHEMBL1676953 0.94 MAPT (0.53) HTTMAPTXBP1CNR1LMNA
SCHEMBL1676956 0.94 MAPT (0.53) HTTMAPTXBP1CNR1LMNA
SCHEMBL1677106 0.89 CNR1 (0.56) HTTMAPTXBP1CNR1LMNA
SCHEMBL1677003 0.89 CNR1 (0.56) HTTMAPTXBP1CNR1LMNA
SCHEMBL1677001 0.89 CNR1 (0.56) HTTMAPTXBP1CNR1LMNA
SCHEMBL1677077 0.86 MAPT (0.55) HTTMAPTXBP1CNR1LMNA
SCHEMBL1676988 0.86 CNR1 (0.53) HTTCNR1LMNASMN1; SMN2L3MBTL1
SCHEMBL1676951 0.86 CNR1 (0.53) HTTCNR1LMNASMN1; SMN2L3MBTL1
SCHEMBL1676920 0.86 HTT (0.55) HTTMAPTXBP1CNR1LMNA

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 HTT 2692/4885MAPT 1884/4885XBP1 893/4885

“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.