SCHEMBL3609586

SCHEMBL3609586

COc1cccc(N2c3ccccc3N(CC[C@@H](CNC3CC3)OC)S2(O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.51
SLC6A3 Q01959 4/20 0.51
SLC6A4 P31645 2/20 0.48
ALDH1A1 P00352 2/20 0.35
KCNH2 Q12809 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL3609584 1.00 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4ALDH1A1KCNH2
SCHEMBL4061276 0.90 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3609580 0.89 SLC6A2 (0.63) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3603695 0.88 SLC6A2 (0.64) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3615768 0.83 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3615773 0.83 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3605159 0.83 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3605161 0.83 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3611021 0.82 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3611016 0.82 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4KCNH2

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-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2010-02-04 US claimed
US-7601722-B2 Aryl sulfamide derivatives and methods of their use WYETH (US) 2009-10-13 US claimed
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-10 US claimed
US-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2010-02-04 US disclosed
US-7601722-B2 Aryl sulfamide derivatives and methods of their use WYETH (US) 2009-10-13 US disclosed
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-10 US disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 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 (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-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885SLC6A3 3/4885SLC6A4 1/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885SLC6A3 3/4885SLC6A4 1/4885

“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.