SCHEMBL2533012

SCHEMBL2533012

Cc1ccc(S(=O)(=O)c2cccc(C3OCCO3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
ALDH1A1 P00352 9/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
HTT P42858 5/20 0.43
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CA2 P00918 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR6 P50406 2/20 0.40
RAB9A P51151 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 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
SCHEMBL2533005 0.88 HTT (0.47) ALDH1A1SMN1; SMN2HTTLMNAL3MBTL1
SCHEMBL5435471 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTLMNAL3MBTL1
SCHEMBL7139787 0.76 CA2 (0.53) ALDH1A1SMN1; SMN2HTTLMNACA2
SCHEMBL27596080 0.76 PKM (0.53) ALDH1A1SMN1; SMN2HTTLMNAHTR6
SCHEMBL31038387 0.73 GAA (0.67) GAAALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL13818128 0.73 HTR2C (0.47) ALDH1A1RAB9AMEN1KMT2A
SCHEMBL6151129 0.73 GAA (0.67) GAAALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL24720985 0.73 GAA (0.59) GAAALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL28875455 0.71 MEN1 (0.42) GAAALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL20546781 0.70 SLC5A2 (0.50) GAAALDH1A1SMN1; SMN2HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859798-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2015-12-30 EP disclosed
US-8044090-B2 N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor ELI LILLY (US) 2011-10-25 US disclosed
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2009-12-10 US disclosed
EP-1859798-A1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2007-11-28 EP disclosed
EP-1379239-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2007-09-12 EP disclosed
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2007-05-03 US disclosed
US-7157488-B2 N-(2-Arylethyl) benzylamines as antagonists of the 5-HT6 receptor ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN 2006-01-12 US disclosed
CN-1610547-A N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor LILLY CO ELI (US) 2005-04-27 CN disclosed
EP-1379239-A2 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
WO-2002078693-A2 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-10-10 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 (3 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-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B GAA 4200/4885ALDH1A1 1218/4885SMN1; SMN2 3792/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B GAA 4200/4885ALDH1A1 1218/4885SMN1; SMN2 3792/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B GAA 4200/4885ALDH1A1 1218/4885SMN1; SMN2 3792/4885

“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.