Sugi Predict

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SCHEMBL491349

SCHEMBL491349

COC(=O)C(CC(C)C)c1cc(OS(=O)(=O)C(F)(F)F)cc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 2/20 0.42
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ CXCR1 P25024 1/20 0.39
▸ GRN P28799 1/20 0.34
▸ SORT1 Q99523 1/20 0.34
▸ MME P08473 2/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ FOLH1 Q04609 3/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ AKR1B10 O60218 1/20 0.33

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
SCHEMBL10084728 0.93 CXCR2 (0.39) CXCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL491575 0.88 PSEN1 (0.48) CXCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL477996 0.86 PSEN1 (0.60) CXCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL478221 0.86 PSEN1 (0.60) CXCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL491403 0.84 PSEN1 (0.45) CXCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL491401 0.82 PSEN1 (0.43) CXCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL14391567 0.80 PSEN1 (0.41) CXCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL2069180 0.77 MAOB (0.37) CXCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL477879 0.76 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1592778 0.75 APP (0.38) CXCR2PSEN1PSEN2APH1BNCSTN

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 8 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
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 CXCR2 2622/4885PSEN1 4/4885PSEN2 5/4885

“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.