Sugi Predict

Sugi Predict / Compounds / SCHEMBL491491

SCHEMBL491491

SCHEMBL491491

CC(C)CC(C(=O)O)c1cc(-c2ccc(C#N)cc2)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 3/20 0.72
▸ PSEN2 P49810 3/20 0.72
▸ APH1B Q8WW43 3/20 0.72
▸ NCSTN Q92542 3/20 0.72
▸ APH1A Q96BI3 3/20 0.72
▸ PSENEN Q9NZ42 3/20 0.72
▸ RXRA P19793 4/20 0.49
▸ RXRG P48443 4/20 0.49
▸ CTSS P25774 5/20 0.47
▸ CTSK P43235 5/20 0.47
▸ CTSL P07711 4/20 0.47
▸ CTSB P07858 2/20 0.47
▸ APP P05067 1/20 0.46
▸ AKR1C3 P42330 2/20 0.45
▸ AKR1C2 P52895 2/20 0.45
▸ KIF11 P52732 1/20 0.43
▸ RXRB P28702 3/20 0.42
▸ HK1 P19367 1/20 0.41
▸ HK2 P52789 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41

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 0.94 PSEN1 (0.82) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10077853 0.91 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491298 0.88 PSEN1 (0.92) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491329 0.88 PSEN1 (0.92) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491366 0.88 PSEN1 (0.92) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491654 0.88 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491282 0.88 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10077734 0.87 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4538306 0.86 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3913236 0.86 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-2016039-B1 TERPHENYL DERIVATIVES FOR TREATMENT OF ALZHEIMER' S DISEASE ORTHO MCNEIL JANSSEN PHARM (US) 2012-08-01 — — EP disclosed
EP-2016039-B1 TERPHENYL DERIVATIVES FOR TREATMENT OF ALZHEIMER' S DISEASE ORTHO MCNEIL JANSSEN PHARM (US) 2012-08-01 — — EP disclosed
US-8106236-B2 Triaryl compounds and derivates thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2012-01-31 — — US disclosed
US-8106236-B2 Triaryl compounds and derivates thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2012-01-31 — — US disclosed
US-8106236-B2 Triaryl compounds and derivates thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2012-01-31 — — US disclosed
WO-2007124351-A1 TERPHENYL DERIVATIVES FOR TREATMENT OF ALZHEIMER' S DISEASE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-11-01 — — WO disclosed
US-20070254957-A1 TRIARYL COMPOUNDS AND DERIVATES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. 2007-11-01 — — US disclosed
US-20070254957-A1 TRIARYL COMPOUNDS AND DERIVATES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. 2007-11-01 — — US disclosed
US-20070254957-A1 TRIARYL COMPOUNDS AND DERIVATES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. 2007-11-01 — — 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-20070254957-A1 TRIARYL COMPOUNDS AND DERIVATES THEREOF BACE1, BACE2, APP PSEN1 4/4885PSEN2 5/4885APH1B 12/4885

“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.