SCHEMBL1844283

SCHEMBL1844283

Cc1ccc(-c2cc(C(CC(C)C)C(=O)O)cc(-c3ccc(C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.68
PSEN2 P49810 3/20 0.68
APH1B Q8WW43 3/20 0.68
NCSTN Q92542 3/20 0.68
APH1A Q96BI3 3/20 0.68
PSENEN Q9NZ42 3/20 0.68
APP P05067 1/20 0.49
AKR1C3 P42330 5/20 0.46
AKR1C2 P52895 5/20 0.46
ADORA3 P0DMS8 1/20 0.41
SCN9A Q15858 1/20 0.41
FFAR1 O14842 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PPARD Q03181 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL1842746 0.95 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1845016 0.92 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12590430 0.91 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1842607 0.91 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1843252 0.91 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1845738 0.91 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1844295 0.91 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12590445 0.91 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12590438 0.91 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12590435 0.90 PSEN1 (0.61) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102159544-A Pyridyl modulators of gamma-secretase JANSSEN PHARMACEUTICA NV 2011-08-17 CN disclosed
US-7968725-B2 Pyridinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2011-06-28 US disclosed
US-7968725-B2 Pyridinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2011-06-28 US disclosed
US-7968725-B2 Pyridinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2011-06-28 US disclosed
EP-2321278-A2 PYRIDINYL MODULATORS OF y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2011-05-18 EP disclosed
WO-2010011626-A2 PYRIDINYL MODULATORS OF ϒ-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2010-01-28 WO disclosed
WO-2010011626-A2 PYRIDINYL MODULATORS OF ϒ-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2010-01-28 WO disclosed
US-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-28 US disclosed
US-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-28 US disclosed
US-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-28 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 (1 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-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE BACE1, PSEN1, BACE2 PSEN1 2/4885PSEN2 4/4885APH1B 7/4885

“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.