SCHEMBL1633231

SCHEMBL1633231

Fc1ccc(F)c(C(Sc2ccc(Cl)cc2)c2cccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
CYP3A4 P08684 7/20 0.38
CYP3A5 P20815 7/20 0.38
KCNA5 P22460 5/20 0.36
KCND3 Q9UK17 1/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
KCNH2 Q12809 2/20 0.35
JAK2 O60674 1/20 0.34

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
SCHEMBL1631307 0.86 CYP19A1 (0.41) CYP19A1CYP3A4CYP3A5PSEN1PSEN2
SCHEMBL1630933 0.84 CYP19A1 (0.40) CYP19A1CYP3A4PSEN1PSEN2APH1B
SCHEMBL9294905 0.84 CYP19A1 (0.53) CYP19A1CYP3A4CYP3A5
SCHEMBL1633780 0.81 DPP4 (0.37) CYP19A1CYP3A4PSEN1PSEN2APH1B
SCHEMBL27628365 0.80 PSEN1 (0.36) CYP3A4PSEN1PSEN2APH1BNCSTN
SCHEMBL11628405 0.80 CYP19A1 (0.60) CYP19A1CYP3A4CYP3A5
SCHEMBL4820950 0.79 PSEN1 (0.39) CYP3A4PSEN1PSEN2APH1BNCSTN
SCHEMBL27628407 0.79 PSEN1 (0.38) CYP3A4PSEN1PSEN2APH1BNCSTN
SCHEMBL12761917 0.77 PSEN1 (0.35) CYP3A4PSEN1PSEN2APH1BNCSTN
SCHEMBL1633002 0.76 L3MBTL1 (0.39) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932271-B2 Heterocyclic methyl sulfone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-7932271-B2 Heterocyclic methyl sulfone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-7932271-B2 Heterocyclic methyl sulfone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 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-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-20060241302-A1 Morpholine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-10-26 US disclosed
CN-1812964-A Heterocyclic methyl sulfone derivative DAIICHI SEIYAKU CO (JP) 2006-08-02 CN disclosed
EP-1640366-A1 HETEROCYCLIC METHYL SULFONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-03-29 EP 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 (3 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-20060241302-A1 Morpholine derivatives APP, BACE1, SMS CYP19A1 719/4885CYP3A4 637/4885CYP3A5 675/4885
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 CYP19A1 2738/4885CYP3A4 3053/4885CYP3A5 2948/4885
US-20070293495-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS APP, IAPP, BACE1 CYP19A1 3077/4885CYP3A4 2566/4885CYP3A5 3186/4885

“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.