SCHEMBL12147161

SCHEMBL12147161

CC(C)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCc2c(F)ccc(F)c21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 15/20 0.41
PSEN2 P49810 15/20 0.41
APH1B Q8WW43 15/20 0.41
NCSTN Q92542 15/20 0.41
APH1A Q96BI3 15/20 0.41
PSENEN Q9NZ42 15/20 0.41
CYP3A4 P08684 3/20 0.41
EEF2K O00418 1/20 0.41
APP P05067 10/20 0.41
CYP2C9 P11712 1/20 0.39

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
SCHEMBL1365468 0.81 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8238539 0.79 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12147171 0.78 APP (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12147246 0.77 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12147268 0.69 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15241999 0.69 APP (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12147217 0.68 CYP3A4 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14441554 0.68 CYP3A4 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13275583 0.67 CYP3A4 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12147150 0.67 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 8 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
US-8569521-B2 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20120264736-A1 BENZENESULFONYL-CHROMANE, THIOCHROMANE, TETRAHYDRONAPHTHALENE AND RELATED GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2012-10-18 US 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
US-8067621-B2 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors SCHERING CORPORATION (US) 2011-11-29 US disclosed
US-20070197581-A1 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors MERCK SHARP & DOHME LLC 2007-08-23 US disclosed
US-20070197581-A1 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors MERCK SHARP & DOHME LLC 2007-08-23 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 (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 PSEN1 2/4885PSEN2 4/4885APH1B 10/4885
US-20070197581-A1 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 5/4885APH1B 10/4885

“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.