SCHEMBL3604646

SCHEMBL3604646

CC(C)(C)OC(=O)N1CCOC(CN2c3ccccc3N(c3c(F)cccc3F)S2(=O)=O)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.50
SLC6A3 Q01959 5/20 0.44
KCNH2 Q12809 1/20 0.44
SLC6A4 P31645 4/20 0.42
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR119 Q8TDV5 2/20 0.37
SCN9A Q15858 1/20 0.37
GRM5 P41594 1/20 0.37
GRM1 Q13255 1/20 0.37
EPHA2 P29317 2/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL4062934 0.92 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4MAPTSMN1; SMN2
SCHEMBL3604644 0.91 SLC6A2 (0.41) SLC6A2SLC6A3KCNH2SLC6A4MAPT
SCHEMBL4063312 0.90 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4MAPTSMN1; SMN2
SCHEMBL3605770 0.87 SLC6A2 (0.67) SLC6A2SLC6A3KCNH2SLC6A4GPR119
SCHEMBL3600536 0.86 SLC6A2 (0.56) SLC6A2SLC6A3KCNH2SLC6A4
SCHEMBL3612076 0.86 SLC6A2 (0.56) SLC6A2SLC6A3KCNH2SLC6A4
SCHEMBL4062931 0.85 SLC6A2 (0.41) SLC6A2MAPTSMN1; SMN2GPR119SCN9A
SCHEMBL4056151 0.84 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4EPHA2
SCHEMBL4063320 0.84 SLC6A2 (0.44) SLC6A2SLC6A4MAPTSMN1; SMN2GPR119
SCHEMBL3605773 0.80 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4SMN1; SMN2GPR119

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 5 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 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 3/4885KCNH2 2779/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885SLC6A3 3/4885KCNH2 2779/4885

“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.