SCHEMBL4540532

SCHEMBL4540532

CC(C)CCC(Nc1cc(CC(=O)O)cc(-c2ccc(C(F)(F)F)cc2)c1)c1cc(F)cc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.47
RXRG P48443 7/20 0.47
RXRB P28702 6/20 0.47
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
GCGR P47871 1/20 0.42
PPARD Q03181 9/20 0.41
PPARA Q07869 4/20 0.41
PPARG P37231 1/20 0.36

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
SCHEMBL11988676 0.92 PSEN1 (0.40) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL8047507 0.92 GCGR (0.48) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL18055708 0.88 RXRA (0.38) RXRARXRGRXRB
SCHEMBL4541014 0.88 SYK (0.39) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL11988673 0.84 GCGR (0.44) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL4446163 0.83 PSEN1 (0.64) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL11988672 0.81 PSEN1 (0.53) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL4538644 0.80 SYK (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4448072 0.78 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3656017 0.76 RXRA (0.46) RXRARXRGRXRBPSEN1PSEN2

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 9 patents. 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
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
US-20090105300-A1 AMINE LINKED MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
US-20090105300-A1 AMINE LINKED MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
US-20090105300-A1 AMINE LINKED MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
WO-2009052350-A1 AMINE LINKED MODULATORS OF Y-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO 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-20090105300-A1 AMINE LINKED MODULATORS OF y-SECRETASE BACE1, BACE2, APP RXRA 1886/4885RXRG 1447/4885RXRB 1995/4885

“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.