SCHEMBL1365698

SCHEMBL1365698

O=S(=O)(c1ccccc1)C1CCc2ccccc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
AKR1C3 P42330 1/20 0.41
MAPT P10636 2/20 0.41
HTR6 P50406 1/20 0.40
HTR1A P08908 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MCOLN2 Q8IZK6 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
MCOLN1 Q9GZU1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL6591026 0.80 CA2 (0.56) CA2HTR6HTR1ASIGMAR1ADRA2A
SCHEMBL6464770 0.80 CA2 (0.49) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL4672085 0.80 CA2 (0.49) CA2HTR1ASIGMAR1ADRA2AADRA2B
Acetic Acid SCHEMBL27984668 0.77 CA2 (0.44) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL8650215 0.76 CA2 (0.46) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL4800535 0.76 CYP2B6 (0.38) CA2AKR1C3HTR6ALDH1A1MEN1
SCHEMBL27385029 0.76 CA2 (0.43) CA2HTR6HTR1ASIGMAR1ADRA2A
SCHEMBL8112469 0.74 CA2 (0.44) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL8117879 0.73 CA2 (0.43) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL8650317 0.73 CA2 (0.49) CA2HTR1ASIGMAR1ADRA2AADRA2B

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618123-B2 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-12-31 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-8067621-B2 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors SCHERING CORPORATION (US) 2011-11-29 US disclosed
CN-101970445-A Benzenesulfonyl-chroman, thiochroman, tetrahydronaphthalene and related gamma secretase inhibitors SCHERING CORP 2011-02-09 CN disclosed
CN-101970445-A Benzenesulfonyl-chroman, thiochroman, tetrahydronaphthalene and related gamma secretase inhibitors SCHERING CORP 2011-02-09 CN disclosed
EP-2178882-A1 BENZENESULFONYL-CHROMANE, THIOCHROMANE, TETRAHYDRONAPHTHALENE AND RELATED GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2010-04-28 EP disclosed
WO-2009011851-A1 BENZENESULFONYL-CHROMANE, THIOCHROMANE, TETRAHYDRONAPHTHALENE AND RELATED GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2009-01-22 WO disclosed
WO-2008063849-A9 MULTIPLE SCLEROSIS THERAPY UNIV NORTHWESTERN (US) 2008-10-16 WO disclosed
EP-1976843-A2 CARBOCYCLIC AND HETEROCYCLIC ARYLSULFONES AS GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2008-10-08 EP disclosed
US-20080233132-A1 Immunotherapy with myelin repair; immunoglobulins; autoimmune disorders NORTHWESTERN UNIVERSITY 2008-09-25 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070197581-A1 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors BACE1, BACE2, PSEN1 CA2 2563/4885AKR1C3 1298/4885MAPT 238/4885

“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.