Sugi Predict

Sugi Predict / Compounds / SCHEMBL8059611

SCHEMBL8059611

SCHEMBL8059611

COC(=O)[C@H](CC(C)C)c1cc(N)cc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 3/20 0.63
▸ PSEN2 P49810 3/20 0.63
▸ APH1B Q8WW43 3/20 0.63
▸ NCSTN Q92542 3/20 0.63
▸ APH1A Q96BI3 3/20 0.63
▸ PSENEN Q9NZ42 3/20 0.63
▸ NOS3 P29474 1/20 0.43
▸ NOS1 P29475 1/20 0.43
▸ NOS2 P35228 1/20 0.43
▸ APP P05067 1/20 0.42
▸ AKR1C3 P42330 2/20 0.41
▸ AKR1C2 P52895 2/20 0.41
▸ CFTR P13569 1/20 0.40
▸ LDHA P00338 2/20 0.39
▸ LDHB P07195 2/20 0.39
▸ FFAR1 O14842 3/20 0.38
▸ SCN9A Q15858 4/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ GCGR P47871 1/20 0.37

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
SCHEMBL3653843 1.00 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11960717 0.93 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491307 0.88 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491409 0.87 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12703248 0.87 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3657074 0.87 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8037859 0.87 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491424 0.86 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1592566 0.86 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3910110 0.84 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 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
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-20090306392-A1 GSM INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-10 — — US disclosed
US-20090306392-A1 GSM INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-10 — — US disclosed
WO-2009052341-A1 GSM INTERMEDIATES JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 — — WO 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 (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-20090306392-A1 GSM INTERMEDIATES BACE1, GSAP, PSEN1 PSEN1 3/4885PSEN2 5/4885APH1B 8/4885
US-20090105300-A1 AMINE LINKED MODULATORS OF y-SECRETASE BACE1, BACE2, APP PSEN1 4/4885PSEN2 5/4885APH1B 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.