SCHEMBL1676964

SCHEMBL1676964

CC(C)(C)OC(=O)COc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.51
PSEN2 P49810 1/20 0.51
APH1B Q8WW43 1/20 0.51
NCSTN Q92542 1/20 0.51
APH1A Q96BI3 1/20 0.51
PSENEN Q9NZ42 1/20 0.51
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PTPN1 P18031 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
AOC2 O75106 1/20 0.46
DAO P14920 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HTT P42858 2/20 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
SCHEMBL14652405 0.86 MAPT (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6654340 0.84 LMNA (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5515918 0.84 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17652044 0.84 SMN1; SMN2 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4598237 0.84 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2173764 0.83 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21819637 0.83 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3170056 0.83 RXFP1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL198467 0.83 PTPN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6608349 0.83 ALDH1A1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A

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
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

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 PSEN1 1029/4885PSEN2 1537/4885APH1B 2554/4885

“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.