SCHEMBL12147113

SCHEMBL12147113

O=S(=O)(c1ccc(Cl)cc1)C1CCc2cc(F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.48
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
KCNH2 Q12809 1/20 0.43
PSEN1 P49768 12/20 0.42
PSEN2 P49810 12/20 0.42
APH1B Q8WW43 12/20 0.42
NCSTN Q92542 12/20 0.42
APH1A Q96BI3 12/20 0.42
PSENEN Q9NZ42 12/20 0.42
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
SRD5A1 P18405 3/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL12147115 0.89 HTR6 (0.48) HTR6DRD2HTR2AHTR2CKCNH2
SCHEMBL8241228 0.81 PSEN1 (0.43) HTR6DRD2HTR2AHTR2CKCNH2
SCHEMBL8238221 0.80 PSEN1 (0.41) HTR6DRD2HTR2AHTR2CKCNH2
SCHEMBL12147112 0.80 HTR6 (0.73) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL1363511 0.75 HCRTR2 (0.41) DRD2HTR2AHTR2CKCNH2PSEN1
SCHEMBL12147142 0.72 DRD2 (0.41) DRD2HTR2AHTR2CKCNH2PSEN1
SCHEMBL12147116 0.71 HTR6 (0.61) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL12147236 0.71 DRD2 (0.40) DRD2HTR2AHTR2CKCNH2PSEN1
SCHEMBL12147256 0.70 HTR6 (0.59) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL24425705 0.69 RORC (0.47)

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 HTR6 2329/4885DRD2 3728/4885HTR2A 2088/4885
US-20070197581-A1 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors BACE1, BACE2, PSEN1 HTR6 2262/4885DRD2 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.