SCHEMBL3605045

SCHEMBL3605045

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.48
BCHE P06276 4/20 0.48
FEN1 P39748 1/20 0.47
ACKR3 P25106 1/20 0.47
GPR119 Q8TDV5 1/20 0.44
KDM1A O60341 1/20 0.43
USP30 Q70CQ3 3/20 0.42
KAT7 O95251 1/20 0.42
KAT8 Q9H7Z6 1/20 0.42
RORC P51449 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
HPGDS O60760 1/20 0.40

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
SCHEMBL3605057 0.91 HTR6 (0.47) HTR6BCHEFEN1ACKR3GPR119
SCHEMBL3605040 0.90 SLC6A2 (0.49) HTR6BCHEFEN1ACKR3GPR119
SCHEMBL4059665 0.88 GPR119 (0.53) HTR6GPR119KDM4EPKM
SCHEMBL3608738 0.86 GFER (0.42) HTR6FEN1RORCPKM
SCHEMBL3607024 0.86 GFER (0.42) HTR6FEN1RORCPKM
SCHEMBL3605054 0.83 SLC6A2 (0.55) HTR6BCHEACKR3GPR119
SCHEMBL3605773 0.82 SLC6A2 (0.53) GPR119USP30
SCHEMBL4062687 0.81 GPR119 (0.55) GPR119KDM4EPKM
SCHEMBL4063161 0.80 GPR119 (0.52) GPR119KDM4EPKM
SCHEMBL4059662 0.78 GPR119 (0.53) GPR119RORCKDM4EPKM

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 686/4885FEN1 4747/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 HTR6 21/4885BCHE 686/4885FEN1 4747/4885

“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.