SCHEMBL12147116

SCHEMBL12147116

O=S(=O)(c1ccc(Cl)cc1)C1CCCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.61
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.44
HTT P42858 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42

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
SCHEMBL12147256 0.96 HTR6 (0.59) HTR6LMNAMAPTHTTALDH1A1
SCHEMBL12147112 0.91 HTR6 (0.73) HTR6LMNAMAPTHTTALDH1A1
SCHEMBL31006317 0.85 HTR6 (0.61) HTR6LMNAMAPTHTTALDH1A1
SCHEMBL8241228 0.81 PSEN1 (0.43) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL11082095 0.79 HTR6 (0.47) HTR6LMNAHTTALDH1A1MEN1
SCHEMBL12147151 0.78 ALDH1A1 (0.43) HTR6LMNAMAPTHTTALDH1A1
SCHEMBL11784556 0.78 HTR6 (0.77) HTR6MAPTALDH1A1KDM4EGAA
SCHEMBL8238221 0.77 PSEN1 (0.41) HTR6MAPTPSEN1PSEN2APH1B
SCHEMBL3004774 0.76 HTR6 (0.49) HTR6LMNAHTTALDH1A1KDM4E
SCHEMBL4885963 0.76 HTR6 (0.49) HTR6LMNAHTTALDH1A1MEN1

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 2329/4885LMNA 2290/4885MAPT 254/4885
US-20070197581-A1 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors BACE1, BACE2, PSEN1 HTR6 2262/4885LMNA 2368/4885MAPT 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.