SCHEMBL3604644

SCHEMBL3604644

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.41
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHA2 P29317 3/20 0.38
GPR119 Q8TDV5 3/20 0.37
SCN9A Q15858 2/20 0.37
GRM5 P41594 1/20 0.37
GRM1 Q13255 1/20 0.37
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 1/20 0.36
SLC6A4 P31645 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
USP30 Q70CQ3 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
BUB1 O43683 1/20 0.35

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
SCHEMBL4062931 0.92 SLC6A2 (0.41) SLC6A2MAPTSMN1; SMN2EPHA2GPR119
SCHEMBL3604646 0.91 SLC6A2 (0.50) SLC6A2MAPTSMN1; SMN2EPHA2GPR119
SCHEMBL4063320 0.90 SLC6A2 (0.44) SLC6A2MAPTSMN1; SMN2EPHA2GPR119
SCHEMBL3605773 0.87 SLC6A2 (0.53) SLC6A2SMN1; SMN2EPHA2GPR119SLC6A3
SCHEMBL3612074 0.86 SLC6A2 (0.46) SLC6A2SLC6A3KCNH2SLC6A4
SCHEMBL3600535 0.86 SLC6A2 (0.46) SLC6A2SLC6A3KCNH2SLC6A4
SCHEMBL4062934 0.85 SLC6A2 (0.49) SLC6A2MAPTSMN1; SMN2GPR119SCN9A
SCHEMBL4063312 0.84 SLC6A2 (0.53) SLC6A2MAPTSMN1; SMN2GPR119SLC6A3
SCHEMBL4056148 0.84 SLC6A2 (0.40) SLC6A2MAPTSMN1; SMN2EPHA2THRB
SCHEMBL3605770 0.80 SLC6A2 (0.67) SLC6A2GPR119SLC6A3KCNH2SLC6A4

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 2/4885MAPT 74/4885SMN1; SMN2 222/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885MAPT 74/4885SMN1; SMN2 222/4885

“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.