SCHEMBL1676973

SCHEMBL1676973

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(O)CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.63
HTT P42858 1/20 0.62
GAA P10253 3/20 0.58
HPGD P15428 1/20 0.58
PKM P14618 1/20 0.58
PKLR P30613 1/20 0.58
LMNA P02545 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HSD11B1 P28845 1/20 0.54
KDM4E B2RXH2 1/20 0.54
TP53 P04637 1/20 0.54

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
SCHEMBL7951411 0.92 CNR1 (0.58) CNR1HTTGAAHPGDPKM
SCHEMBL7960720 0.92 CNR1 (0.58) CNR1HTTGAAHPGDPKM
SCHEMBL7951221 0.92 CNR1 (0.58) CNR1HTTGAAHPGDPKM
SCHEMBL12727839 0.86 HTT (0.62) CNR1HTTGAAHPGDPKM
SCHEMBL18726870 0.86 ALDH1A1 (0.63) CNR1HTTGAAHPGDPKM
SCHEMBL4963231 0.85 CNR1 (0.66) CNR1HTTGAAHPGDLMNA
SCHEMBL27370216 0.84 HTT (0.70) CNR1HTTGAAPKMPKLR
SCHEMBL1677064 0.83 TP53 (0.60) CNR1HTTGAAHPGDPKM
SCHEMBL7951897 0.83 KMT2A (0.61) CNR1HTTGAAHPGDPKM
SCHEMBL14625303 0.82 HTT (0.68) CNR1HTTGAAPKMPKLR

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 7 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-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
WO-2009151152-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-12-17 WO 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 65/4885HTT 2692/4885GAA 3010/4885

“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.