SCHEMBL4538306

SCHEMBL4538306

CC(C)CC(C(=O)O)c1cc(C(=O)c2ccc(C#N)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.67
PSEN2 P49810 3/20 0.67
APH1B Q8WW43 3/20 0.67
NCSTN Q92542 3/20 0.67
APH1A Q96BI3 3/20 0.67
PSENEN Q9NZ42 3/20 0.67
APP P05067 1/20 0.48
KIF11 P52732 1/20 0.43
CTSS P25774 4/20 0.43
CTSK P43235 4/20 0.43
CTSL P07711 3/20 0.43
CTSB P07858 2/20 0.43
VNN1 O95497 1/20 0.42
RXRA P19793 1/20 0.40
RXRG P48443 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
HK1 P19367 1/20 0.38
HK2 P52789 1/20 0.38

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
SCHEMBL491413 0.91 PSEN1 (0.82) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13895554 0.87 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491491 0.86 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2911516 0.85 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3913236 0.84 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2910910 0.84 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3660025 0.83 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491364 0.82 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491610 0.82 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491340 0.82 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 6 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
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
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

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.