SCHEMBL1746018

SCHEMBL1746018

Nc1ccc(S(=O)(=O)N2CCCCC2)cc1S

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.61
USP2 O75604 1/20 0.59
KDM4E B2RXH2 3/20 0.55
MCOLN3 Q8TDD5 2/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 4/20 0.52
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
VDR P11473 1/20 0.51
HPGD P15428 1/20 0.51
GFER P55789 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL7212968 0.85 USP2 (0.66) RAB9AUSP2KDM4EMCOLN3TSHR
SCHEMBL7207141 0.83 USP2 (0.63) RAB9AUSP2KDM4EMCOLN3TSHR
SCHEMBL7212954 0.83 USP2 (0.63) RAB9AUSP2KDM4EMCOLN3TSHR
SCHEMBL20526493 0.80 KDM4E (0.63) RAB9AUSP2KDM4EMCOLN3TSHR
SCHEMBL14419475 0.79 ALDH1A1 (0.66) RAB9AUSP2KDM4EMCOLN3TSHR
SCHEMBL9796209 0.77 ALDH1A1 (0.67) RAB9AUSP2KDM4EMCOLN3TSHR
SCHEMBL10126570 0.77 RAB9A (0.66) RAB9AUSP2KDM4EMCOLN3TSHR
SCHEMBL11668435 0.77 RAB9A (0.66) RAB9AUSP2KDM4EMCOLN3TSHR
SCHEMBL11823679 0.77 TSHR (0.68) USP2MCOLN3TSHRALDH1A1POLB
SCHEMBL3690418 0.75 USP2 (0.80) RAB9AUSP2HTTL3MBTL1ALDH1A1

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-8592467-B2 Benzothiazole cyclobutyl amine derivatives ABBVIE INC. (US) 2013-11-26 US disclosed
EP-2386556-B1 Benzothiazole cyclobutyl amine derivatives and their use as histamine-3 receptors ligands ABBVIE INC (US) 2013-10-23 EP disclosed
EP-1926729-B1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTORS LIGANDS ABBOTT LAB (US) 2011-12-21 EP disclosed
EP-2386556-A1 Benzothiazole cyclobutyl amine derivatives and their use as histamine-3 receptors ligands Abbott Laboratories (US) 2011-11-16 EP disclosed
US-20110254413-A1 CASING OF ELECTRONIC DEVICE AND MANUFACTURING METHOD THEREOF ASUSTEK COMPUTER INC. (TW) 2011-10-20 US disclosed
US-20090326222-A1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-12-31 US disclosed
US-7576110-B2 Benzothiazole cyclobutyl amine derivatives ABBOTT LABORATORIES (US) 2009-08-18 US disclosed
EP-1926729-A1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTORS LIGANDS ABBOTT LABORATORIES (US) 2008-06-04 EP disclosed
WO-2007038074-A1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTORS LIGANDS ABBOTT LABORATORIES (US) 2007-04-05 WO disclosed
US-20070066588-A1 Benzothiazole cyclobutyl amine derivatives ABBVIE INC. 2007-03-22 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-20090326222-A1 BENZOTHIAZOLE CYCLOBUTYL AMINE DERIVATIVES HRH2, HRH4, HRH1 RAB9A 2543/4885USP2 4220/4885KDM4E 3229/4885
US-20070066588-A1 Benzothiazole cyclobutyl amine derivatives HRH2, HRH4, HRH1 RAB9A 2543/4885USP2 4220/4885KDM4E 3229/4885

“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.