SCHEMBL2765491

SCHEMBL2765491

NC1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 1.00
PSEN2 P49810 20/20 1.00
APH1B Q8WW43 20/20 1.00
NCSTN Q92542 20/20 1.00
APH1A Q96BI3 20/20 1.00
PSENEN Q9NZ42 20/20 1.00
APP P05067 1/20 0.67
CYP3A4 P08684 1/20 0.67
SLC6A3 Q01959 1/20 0.67
SLC18A2 Q05940 1/20 0.67

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
SCHEMBL13676473 1.00 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2783966 0.89 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4822276 0.88 PSEN1 (0.86) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8259743 0.88 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13676465 0.88 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8257620 0.88 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2766736 0.88 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1246752 0.87 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1081833 0.87 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1081832 0.87 PSEN1 (0.77) 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-1551799-B1 CYCLOHEXYL SULPHONES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2010-04-14 EP disclosed
US-20090215775-A1 Sulphonamido-Substituted Cyclohexyl Sulphones for Treatment of Cancer MERCK SHARP & DOHME LTD. (GB) 2009-08-27 US disclosed
EP-1888051-A2 SULPHONAMIDO-SUBSTITUTED CYCLOHEXYL SULPHONES FOR TREATMENT OF CANCER MERCK SHARP & DOHME LTD. (GB) 2008-02-20 EP disclosed
EP-1551797-B1 CYCLOHEXYL SULPHONE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2007-02-21 EP disclosed
WO-2006123184-A2 SULPHONAMIDO-SUBSTITUTED CYCLOHEXYL SULPHONES FOR TREATMENT OF CANCER MERCK SHARP & DOHME LIMITED (GB) 2006-11-23 WO disclosed
US-7101895-B2 Cyclohexyl sulphone derivatives as gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2006-09-05 US disclosed
EP-1551799-A1 CYCLOHEXYL SULPHONES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2005-07-13 EP disclosed
US-6890956-B2 Cyclohexyl sulphones as gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2005-05-10 US disclosed
US-20040122050-A1 Cyclohexyl sulphone derivatives as gamma-secretase inhibitors MERCK SHARP & DOHME LTD. (GB) 2004-06-24 US disclosed
US-20040121995-A1 Cyclohexyl sulphones as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-06-24 US disclosed
WO-2004031139-A1 CYCLOHEXYL SULPHONES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2004-04-15 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 (3 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-20040122050-A1 Cyclohexyl sulphone derivatives as gamma-secretase inhibitors BACE1, BACE2, APP PSEN1 4/4885PSEN2 6/4885APH1B 8/4885
US-20040121995-A1 Cyclohexyl sulphones as gamma-secretase inhibitors BACE1, BACE2, APP PSEN1 4/4885PSEN2 5/4885APH1B 9/4885
US-20090215775-A1 Sulphonamido-Substituted Cyclohexyl Sulphones for Treatment of Cancer SDHA, SDHB, TP53 PSEN1 2352/4885PSEN2 2663/4885APH1B 2036/4885

“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.