SCHEMBL491401

SCHEMBL491401

COC(=O)C(CC(C)C)c1cc(OS(=O)(=O)C(F)(F)F)cc(-c2ccc(Cl)c(C(F)(F)F)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
KDM4E B2RXH2 1/20 0.41
NOTUM Q6P988 2/20 0.38
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
APP P05067 1/20 0.37
SLC6A3 Q01959 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
AKR1B10 O60218 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C1 Q04828 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL14391567 0.87 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478221 0.85 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL477996 0.85 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3905704 0.85 KDM4E (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3654807 0.84 KDM4E (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491240 0.84 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491600 0.84 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491575 0.83 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3654814 0.82 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3902263 0.82 PSEN1 (0.45) 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212277-B1 AMINE LINKED MODULATORS OF Y-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2016-08-31 EP disclosed
EP-2212277-B1 AMINE LINKED MODULATORS OF Y-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2016-08-31 EP disclosed
EP-2021314-B1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF ORTHO MCNEIL JANSSEN PHARM (US) 2013-01-23 EP disclosed
EP-2021314-B1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF ORTHO MCNEIL JANSSEN PHARM (US) 2013-01-23 EP disclosed
US-8247610-B2 Amine linked modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-21 US disclosed
US-8247610-B2 Amine linked modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-21 US disclosed
US-8247610-B2 Amine linked modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-21 US disclosed
EP-2016039-B1 TERPHENYL DERIVATIVES FOR TREATMENT OF ALZHEIMER' S DISEASE ORTHO MCNEIL JANSSEN PHARM (US) 2012-08-01 EP disclosed
EP-2016039-B1 TERPHENYL DERIVATIVES FOR TREATMENT OF ALZHEIMER' S DISEASE ORTHO MCNEIL JANSSEN PHARM (US) 2012-08-01 EP disclosed
US-8106236-B2 Triaryl compounds and derivates thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2012-01-31 US disclosed
EP-2021314-A1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF Ortho-McNeil Pharmaceutical, Inc. (US) 2009-02-11 EP disclosed
EP-2016039-A1 TERPHENYL DERIVATIVES FOR TREATMENT OF ALZHEIMER' S DISEASE Ortho-Mcneil Pharmaceutical, Inc. (US) 2009-01-21 EP disclosed
US-20070293567-A1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. 2007-12-20 US disclosed
US-20070293567-A1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. 2007-12-20 US disclosed
US-20070293567-A1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. 2007-12-20 US disclosed
WO-2007124351-A1 TERPHENYL DERIVATIVES FOR TREATMENT OF ALZHEIMER' S DISEASE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-11-01 WO disclosed
WO-2007124394-A1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-11-01 WO disclosed
US-20070254957-A1 TRIARYL COMPOUNDS AND DERIVATES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. 2007-11-01 US disclosed
US-20070254957-A1 TRIARYL COMPOUNDS AND DERIVATES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. 2007-11-01 US disclosed
US-20070254957-A1 TRIARYL COMPOUNDS AND DERIVATES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. 2007-11-01 US 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-20070293567-A1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF BACE1, BACE2, APP PSEN1 4/4885PSEN2 5/4885APH1B 6/4885
US-20070254957-A1 TRIARYL COMPOUNDS AND DERIVATES THEREOF BACE1, BACE2, APP PSEN1 4/4885PSEN2 5/4885APH1B 12/4885

“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.