SCHEMBL1363511

SCHEMBL1363511

O=S(=O)(c1ccc(Cl)cc1)C1CCOc2ccc(F)cc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
KCNH2 Q12809 1/20 0.41
PKM P14618 3/20 0.40
PKLR P30613 2/20 0.40
MAPT P10636 2/20 0.40
PSEN1 P49768 8/20 0.39
PSEN2 P49810 8/20 0.39
APH1B Q8WW43 8/20 0.39
NCSTN Q92542 8/20 0.39
APH1A Q96BI3 8/20 0.39
PSENEN Q9NZ42 8/20 0.39
TSHR P16473 1/20 0.39
MAP3K14 Q99558 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
SCHEMBL8236922 0.89 PKM (0.44) HCRTR2PKMPKLRMAPTPSEN1
SCHEMBL8231610 0.81 DRD2 (0.40) DRD2HTR2AHTR2CKCNH2PSEN1
SCHEMBL13453192 0.79 DRD2 (0.40) DRD2HTR2AHTR2CKCNH2PKM
SCHEMBL8231012 0.78 HCRTR2 (0.42) HCRTR2DRD2HTR2AHTR2CKCNH2
SCHEMBL12147115 0.77 HTR6 (0.48) DRD2HTR2AHTR2CKCNH2PSEN1
SCHEMBL8238219 0.75 CYP3A4 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8241228 0.75 PSEN1 (0.43) DRD2HTR2AHTR2CKCNH2PSEN1
SCHEMBL12147113 0.75 HTR6 (0.48) DRD2HTR2AHTR2CKCNH2PSEN1
SCHEMBL8238221 0.74 PSEN1 (0.41) DRD2HTR2AHTR2CKCNH2MAPT
SCHEMBL28199662 0.74 ADRA2A (0.40) PKMPKLRMAPTTSHR

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 19 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-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
EP-1976843-B1 CARBOCYCLIC AND HETEROCYCLIC ARYLSULFONES AS GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME (US) 2013-09-04 EP disclosed
CN-101405280-B Carbocyclic and heterocyclic aryl sulfone compounds as gamma secretase inhibitors SCHERING CORPORTAION 2012-11-14 CN 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-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-8067621-B2 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors SCHERING CORPORATION (US) 2011-11-29 US disclosed
CN-101405280-A Carbocyclic and heterocyclic aryl sulfone compounds as gamma secretase inhibitors SCHERING CORP (US) 2009-04-08 CN 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
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
WO-2007084595-A2 CARBOCYCLIC AND HETEROCYCLIC ARYLSULFONES AS GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2007-07-26 WO 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 HCRTR2 541/4885DRD2 3728/4885HTR2A 2088/4885
US-20070197581-A1 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors BACE1, BACE2, PSEN1 HCRTR2 532/4885DRD2 3721/4885HTR2A 1869/4885

“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.