SCHEMBL4819936

SCHEMBL4819936

CCCCC(O)c1cc(F)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ADRA2C P18825 2/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
PSEN1 P49768 4/20 0.38
PSEN2 P49810 4/20 0.38
APH1B Q8WW43 4/20 0.38
NCSTN Q92542 4/20 0.38
APH1A Q96BI3 4/20 0.38
PSENEN Q9NZ42 4/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL953919 0.83 PDE2A (0.50) CES2CES1ADRA2CADRA2AADRA2B
SCHEMBL23729241 0.83 ADRA2C (0.41) ADRA2CADRA2AADRA2BADRA1AADRA1B
SCHEMBL14640345 0.82 PSEN1 (0.40) CES2CES1PSEN1PSEN2APH1B
SCHEMBL24222112 0.82 PSEN1 (0.40) CES2CES1PSEN1PSEN2APH1B
SCHEMBL28843379 0.82 CES2 (0.44) CES2CES1ADRA2CADRA2AADRA2B
SCHEMBL3199954 0.81 PSEN1 (0.49) CES2CES1ADRA2CADRA2AADRA2B
SCHEMBL31074203 0.81 PSEN1 (0.49) CES2CES1ADRA2CADRA2AADRA2B
SCHEMBL30446775 0.81 PSEN1 (0.49) CES2CES1ADRA2CADRA2AADRA2B
SCHEMBL16957740 0.81 CES2 (0.36) CES2CES1PSEN1PSEN2APH1B
SCHEMBL22241272 0.81 CES2 (0.36) CES2CES1PSEN1PSEN2APH1B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399775-B2 β-amyloid protein production/secretion inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-07-15 US disclosed
US-7399775-B2 β-amyloid protein production/secretion inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-07-15 US disclosed
US-7399775-B2 β-amyloid protein production/secretion inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-07-15 US disclosed
US-20070293495-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-20 US disclosed
US-20070293495-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-20 US disclosed
US-20070293495-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-20 US disclosed
US-20050234109-A1 to treat Alzheimer's disease,Down syndrome and the other diseases associated with amyloid deposition; thiomethane, sulfinylmethane or sulfonylmethane compounds; 5-Chloro-4-[(4-chlorophenylsulfonyl)-(2,5-difluorophenyl)methyl]-2-(4'-hydroxypiperidin-1'-yl)pyridine DAIICHI PHARMACEUTICAL CO. LTD. (JP) 2005-10-20 US disclosed
EP-1466898-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-10-13 EP 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 (2 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-20050234109-A1 to treat Alzheimer's disease,Down syndrome and the other diseases associated with amyloid deposition; thiomethane, sulfinylmethane or sulfonylmethane compounds; 5-Chloro-4-[(4-chlorophenylsulfonyl)-(2,5-difluorophenyl)methyl]-2-(4'-hydroxypiperidin-1'-yl)pyridine APP, PSEN1, PSEN2 CES2 709/4885CES1 600/4885ADRA2C 570/4885
US-20070293495-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS APP, IAPP, BACE1 CES2 1338/4885CES1 636/4885ADRA2C 1350/4885

“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.