SCHEMBL2907167

SCHEMBL2907167

CC(C)CC(C(=O)O)c1cc(Cc2cc(Cl)cc(Cl)c2)cc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.73
PSEN2 P49810 5/20 0.73
APH1B Q8WW43 5/20 0.73
NCSTN Q92542 5/20 0.73
APH1A Q96BI3 5/20 0.73
PSENEN Q9NZ42 5/20 0.73
APP P05067 2/20 0.51
AKR1C3 P42330 5/20 0.41
AKR1C2 P52895 5/20 0.41
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
PPARD Q03181 4/20 0.38
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
FFAR1 O14842 4/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C1 Q04828 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
SCHEMBL13889533 0.92 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491353 0.90 PSEN1 (0.86) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2911113 0.88 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491357 0.87 PSEN1 (0.88) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491814 0.87 PSEN1 (0.88) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2910222 0.86 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4541586 0.86 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3905354 0.85 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2910910 0.85 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491938 0.85 PSEN1 (1.00) 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
US-8692017-B2 Carbon linked modulators of gamma-secretase JANSSEN PHARMACEUTICA, N.V. (BE) 2014-04-08 US disclosed
US-8692017-B2 Carbon linked modulators of gamma-secretase JANSSEN PHARMACEUTICA, N.V. (BE) 2014-04-08 US disclosed
EP-2215043-B1 CARBON LINKED MODULATORS OF Y-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2013-03-06 EP disclosed
EP-2215043-B1 CARBON LINKED MODULATORS OF Y-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2013-03-06 EP disclosed
EP-2215043-A1 CARBON LINKED MODULATORS OF Y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2010-08-11 EP disclosed
WO-2009052334-A1 CARBON LINKED MODULATORS OF Y-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed
WO-2009052334-A1 CARBON LINKED MODULATORS OF Y-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed
US-20090105288-A1 CARBON LINKED MODULATORS OF gamma-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
US-20090105288-A1 CARBON LINKED MODULATORS OF gamma-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
US-20090105288-A1 CARBON LINKED MODULATORS OF gamma-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 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-20090105288-A1 CARBON LINKED MODULATORS OF gamma-SECRETASE BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 7/4885APH1B 6/4885

“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.