Sugi Predict

Sugi Predict / Compounds / SCHEMBL4813737

SCHEMBL4813737

SCHEMBL4813737

CN(CCN(C)c1cc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)c(Cl)cn1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 11/20 0.44
▸ PSEN2 P49810 11/20 0.44
▸ APH1B Q8WW43 11/20 0.44
▸ NCSTN Q92542 11/20 0.44
▸ APH1A Q96BI3 11/20 0.44
▸ PSENEN Q9NZ42 11/20 0.44
▸ NTRK1 P04629 2/20 0.33
▸ NTRK3 Q16288 2/20 0.33
▸ NTRK2 Q16620 2/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CXCR3 P49682 1/20 0.32

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
SCHEMBL1632601 0.89 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1632498 0.88 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1634538 0.86 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1631933 0.83 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4823133 0.81 NTRK1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1632500 0.81 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1634296 0.80 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1631340 0.80 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1632040 0.78 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1632761 0.78 PSEN1 (0.50) 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 4 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-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 PSEN1 2/4885PSEN2 3/4885APH1B 23/4885
US-20070293495-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS APP, IAPP, BACE1 PSEN1 8/4885PSEN2 10/4885APH1B 15/4885

“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.