SCHEMBL3605040

SCHEMBL3605040

CC(C)(C)OC(=O)N1CCCC(CN2c3ccccc3N(c3ccccc3)S2(=O)=O)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.49
FEN1 P39748 1/20 0.47
ACKR3 P25106 1/20 0.47
RORC P51449 1/20 0.47
HTR6 P50406 4/20 0.46
BCHE P06276 3/20 0.46
SLC6A4 P31645 2/20 0.45
GPR119 Q8TDV5 1/20 0.44
KDM1A O60341 1/20 0.43
SLC6A3 Q01959 1/20 0.42
USP30 Q70CQ3 1/20 0.42
KAT7 O95251 1/20 0.42
KAT8 Q9H7Z6 1/20 0.42

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
SCHEMBL3605054 0.91 SLC6A2 (0.55) SLC6A2ACKR3HTR6BCHESLC6A4
SCHEMBL3605045 0.90 HTR6 (0.48) FEN1ACKR3RORCHTR6BCHE
SCHEMBL4059662 0.88 GPR119 (0.53) SLC6A2RORCSLC6A4GPR119SLC6A3
SCHEMBL3608735 0.86 SLC6A2 (0.54) SLC6A2RORCSLC6A4SLC6A3
SCHEMBL3607020 0.86 SLC6A2 (0.54) SLC6A2RORCSLC6A4SLC6A3
SCHEMBL3605057 0.83 HTR6 (0.47) SLC6A2FEN1ACKR3HTR6BCHE
SCHEMBL3605770 0.82 SLC6A2 (0.67) SLC6A2SLC6A4GPR119SLC6A3USP30
SCHEMBL4062683 0.81 GPR119 (0.55) SLC6A2SLC6A4GPR119SLC6A3
SCHEMBL4063156 0.80 GPR119 (0.51) SLC6A2SLC6A4GPR119
SCHEMBL4059665 0.78 GPR119 (0.53) HTR6GPR119

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 2/4885FEN1 4747/4885ACKR3 3532/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885FEN1 4747/4885ACKR3 3532/4885

“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.