SCHEMBL1365544

SCHEMBL1365544

CC1CCC(S(=O)(=O)c2ccc(Cl)cc2)c2c(F)ccc(F)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.40
PSEN2 P49810 12/20 0.40
APH1B Q8WW43 12/20 0.40
NCSTN Q92542 12/20 0.40
APH1A Q96BI3 12/20 0.40
PSENEN Q9NZ42 12/20 0.40
LMNA P02545 1/20 0.40
ACHE P22303 1/20 0.40
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
DRD2 P14416 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34

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
SCHEMBL8231615 0.88 ACHE (0.38) LMNAACHEMEN1KMT2AALDH1A1
SCHEMBL14461137 0.87 MEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12147220 0.87 MEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1364594 0.78 ALDH1A1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1362911 0.77 MAPT (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1363580 0.75 HTR2A (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14441565 0.75 PTGS2 (0.38) LMNAACHEMEN1KMT2AALDH1A1
SCHEMBL1363575 0.74 DRD2 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8231928 0.74 CYP3A4 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1363237 0.74 DRD2 (0.38) 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 10 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-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
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

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.