SCHEMBL3915752

SCHEMBL3915752

CC(C)CC(C(=O)O)c1cc(Nc2ccc(F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.73
PSEN2 P49810 4/20 0.73
APH1B Q8WW43 4/20 0.73
NCSTN Q92542 4/20 0.73
APH1A Q96BI3 4/20 0.73
PSENEN Q9NZ42 4/20 0.73
APP P05067 1/20 0.46
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
GCGR P47871 1/20 0.41
CTSL P07711 2/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
CTSB P07858 1/20 0.39
KCNH2 Q12809 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 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
SCHEMBL3905112 0.96 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13762416 0.93 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3655823 0.93 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3900219 0.92 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3654275 0.91 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3911048 0.90 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491785 0.90 PSEN1 (0.90) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3911080 0.89 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3911582 0.88 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13599978 0.88 PSEN1 (0.67) 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-2021314-B1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF ORTHO MCNEIL JANSSEN PHARM (US) 2013-01-23 EP disclosed
EP-2021314-B1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF ORTHO MCNEIL JANSSEN PHARM (US) 2013-01-23 EP disclosed
US-7557244-B2 Substituted biphenyl carboxylic acids and derivatives thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-07-07 US disclosed
US-7557244-B2 Substituted biphenyl carboxylic acids and derivatives thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-07-07 US disclosed
US-7557244-B2 Substituted biphenyl carboxylic acids and derivatives thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-07-07 US disclosed
US-20070293567-A1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. 2007-12-20 US disclosed
US-20070293567-A1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. 2007-12-20 US disclosed
US-20070293567-A1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. 2007-12-20 US disclosed
WO-2007124394-A1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-11-01 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-20070293567-A1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF 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.