SCHEMBL1632067

SCHEMBL1632067

Cc1ccc(C(Sc2ccc(Cl)cc2)c2cc(F)ccc2F)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 9/20 0.39
S1PR1 P21453 5/20 0.39
PSEN1 P49768 5/20 0.39
PSEN2 P49810 5/20 0.39
APH1B Q8WW43 5/20 0.39
NCSTN Q92542 5/20 0.39
APH1A Q96BI3 5/20 0.39
PSENEN Q9NZ42 5/20 0.39
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
S1PR4 O95977 2/20 0.33
AKR1B1 P15121 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL27628365 0.88 PSEN1 (0.36) S1PR3S1PR1PSEN1PSEN2APH1B
SCHEMBL1632222 0.84 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1632578 0.82 ALDH1A1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1630679 0.82 PSEN1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1633002 0.81 L3MBTL1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL595170 0.78 PSEN1 (0.37) S1PR3S1PR1PSEN1PSEN2APH1B
SCHEMBL27628407 0.77 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4820950 0.76 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1632373 0.76 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1631736 0.76 TRPM5 (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 S1PR3 1285/4885S1PR1 1254/4885PSEN1 4/4885
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 S1PR3 3623/4885S1PR1 2313/4885PSEN1 2/4885
US-20070293495-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS APP, IAPP, BACE1 S1PR3 4806/4885S1PR1 4674/4885PSEN1 8/4885

“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.