SCHEMBL1364393

SCHEMBL1364393

CC1COc2c(F)ccc(F)c2C1S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
PSEN1 P49768 15/20 0.39
PSEN2 P49810 13/20 0.39
APH1B Q8WW43 12/20 0.39
NCSTN Q92542 12/20 0.39
APH1A Q96BI3 12/20 0.39
PSENEN Q9NZ42 12/20 0.39
APP P05067 11/20 0.39
CYP2C9 P11712 1/20 0.38
ACHE P22303 1/20 0.37

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
SCHEMBL14441562 1.00 CYP3A4 (0.40) CYP3A4PSEN1PSEN2APH1BNCSTN
SCHEMBL12147365 1.00 CYP3A4 (0.40) CYP3A4PSEN1PSEN2APH1BNCSTN
SCHEMBL12147329 1.00 CYP3A4 (0.40) CYP3A4PSEN1PSEN2APH1BNCSTN
SCHEMBL8240894 0.88 PSEN1 (0.38) CYP3A4PSEN1PSEN2APH1BNCSTN
SCHEMBL1363503 0.87 PSEN1 (0.38) CYP3A4PSEN1PSEN2APH1BNCSTN
SCHEMBL1363504 0.87 PSEN1 (0.38) CYP3A4PSEN1PSEN2APH1BNCSTN
SCHEMBL1364934 0.87 PSEN1 (0.38) CYP3A4PSEN1PSEN2APH1BNCSTN
SCHEMBL1364936 0.87 PSEN1 (0.38) CYP3A4PSEN1PSEN2APH1BNCSTN
SCHEMBL1363505 0.87 PSEN1 (0.38) CYP3A4PSEN1PSEN2APH1BNCSTN
SCHEMBL12148181 0.86 MMP13 (0.40) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569521-B2 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
EP-1976843-B1 CARBOCYCLIC AND HETEROCYCLIC ARYLSULFONES AS GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME (US) 2013-09-04 EP disclosed
US-20120264736-A1 BENZENESULFONYL-CHROMANE, THIOCHROMANE, TETRAHYDRONAPHTHALENE AND RELATED GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2012-10-18 US disclosed
US-8067621-B2 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors SCHERING CORPORATION (US) 2011-11-29 US disclosed
EP-1976843-A2 CARBOCYCLIC AND HETEROCYCLIC ARYLSULFONES AS GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2008-10-08 EP disclosed
US-20070197581-A1 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors MERCK SHARP & DOHME LLC 2007-08-23 US disclosed
WO-2007084595-A2 CARBOCYCLIC AND HETEROCYCLIC ARYLSULFONES AS GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2007-07-26 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 (2 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-20120264736-A1 BENZENESULFONYL-CHROMANE, THIOCHROMANE, TETRAHYDRONAPHTHALENE AND RELATED GAMMA SECRETASE INHIBITORS BACE1, PSEN1, BACE2 CYP3A4 567/4885PSEN1 2/4885PSEN2 4/4885
US-20070197581-A1 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors BACE1, BACE2, PSEN1 CYP3A4 593/4885PSEN1 3/4885PSEN2 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.