SCHEMBL8068103

SCHEMBL8068103

CC(C)C[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)c1cc(OCc2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.49
PSEN2 P49810 2/20 0.49
APH1B Q8WW43 2/20 0.49
NCSTN Q92542 2/20 0.49
APH1A Q96BI3 2/20 0.49
PSENEN Q9NZ42 2/20 0.49
FFAR1 O14842 8/20 0.37
PPARA Q07869 4/20 0.37
PPARD Q03181 4/20 0.36
PPARG P37231 1/20 0.36
APP P05067 1/20 0.35
IDH1 O75874 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL8075267 1.00 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2068586 1.00 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2068545 0.90 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8078049 0.90 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12845213 0.89 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8085091 0.88 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491367 0.88 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8077636 0.88 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12781778 0.88 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12781779 0.88 PSEN1 (0.42) 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-2215044-B1 BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2012-08-29 EP disclosed
US-7897643-B2 Biphenyl carboxylic acids and derivatives thereof JANSSEN PHARMACEUTICA N.V. (BE) 2011-03-01 US disclosed
US-7897643-B2 Biphenyl carboxylic acids and derivatives thereof JANSSEN PHARMACEUTICA N.V. (BE) 2011-03-01 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-20090105344-A1 BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
US-20090105344-A1 BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
WO-2009051948-A1 BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF 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-20090105344-A1 BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF BACE1, BACE2, APP PSEN1 4/4885PSEN2 6/4885APH1B 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.