SCHEMBL3906367

SCHEMBL3906367

CC(C)CC(C(=O)O)c1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.66
PSEN2 P49810 3/20 0.66
APH1B Q8WW43 3/20 0.66
NCSTN Q92542 3/20 0.66
APH1A Q96BI3 3/20 0.66
PSENEN Q9NZ42 3/20 0.66
APP P05067 1/20 0.49
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
KDR P35968 2/20 0.40
PDK1 Q15118 1/20 0.40
CASR P41180 1/20 0.40
ABL1 P00519 4/20 0.40
BCR P11274 4/20 0.40
DHODH Q02127 1/20 0.40
P2RX3 P56373 1/20 0.39
KLRK1 P26718 1/20 0.38
MICA Q29983 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
SCHEMBL13762423 0.93 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3911576 0.89 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3905112 0.89 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3654275 0.88 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491430 0.88 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3905348 0.87 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3660912 0.87 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3905354 0.87 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3900219 0.87 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3908428 0.86 PSEN1 (0.54) 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 11 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
EP-2021314-A1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF Ortho-McNeil Pharmaceutical, Inc. (US) 2009-02-11 EP 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
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.