SCHEMBL3605057

SCHEMBL3605057

CC(C)(C)OC(=O)N1CCCC(CCN2c3ccccc3N(c3ccccc3)S2(O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.47
BCHE P06276 4/20 0.47
ACKR3 P25106 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
KDM1A O60341 1/20 0.42
FEN1 P39748 1/20 0.42
BACE1 P56817 2/20 0.42
USP30 Q70CQ3 2/20 0.42
CTSD P07339 1/20 0.42
KAT7 O95251 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
CYP2C9 P11712 1/20 0.41

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) HTR6BCHEACKR3GPR119SLC6A2
SCHEMBL3605045 0.91 HTR6 (0.48) HTR6BCHEACKR3GPR119KDM1A
SCHEMBL4062687 0.89 GPR119 (0.55) GPR119
SCHEMBL3616906 0.86 SLC6A2 (0.49) SLC6A2SLC6A4
SCHEMBL4063161 0.85 GPR119 (0.52) GPR119
SCHEMBL3605040 0.83 SLC6A2 (0.49) HTR6BCHEACKR3GPR119SLC6A2
SCHEMBL4059665 0.81 GPR119 (0.53) HTR6GPR119
SCHEMBL4064772 0.80 KDM1A (0.42) GPR119SLC6A2SLC6A4KDM1A
SCHEMBL3616317 0.80 GPR119 (0.43) ACKR3GPR119
SCHEMBL4062683 0.80 GPR119 (0.55) GPR119SLC6A2SLC6A4

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 HTR6 21/4885BCHE 686/4885ACKR3 3532/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 HTR6 21/4885BCHE 686/4885ACKR3 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.