SCHEMBL6287403

SCHEMBL6287403

CC(C)(C)OC(=O)N1CCCC(CN(c2ccccc2)S(C)(=O)=O)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.50
KAT7 O95251 1/20 0.48
KAT8 Q9H7Z6 1/20 0.48
SCN9A Q15858 1/20 0.48
HTR6 P50406 5/20 0.47
BCHE P06276 4/20 0.47
KDM1A O60341 1/20 0.46
FEN1 P39748 1/20 0.46
USP30 Q70CQ3 3/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
STS P08842 1/20 0.44
BACE1 P56817 2/20 0.44
CTSD P07339 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL7799838 0.87 LIMK2 (0.55) STSKDM4EPKM
SCHEMBL6709313 0.86 ACKR3 (0.45) ACKR3KAT7KAT8SCN9AHTR6
SCHEMBL6711024 0.86 HTR6 (0.46) ACKR3KAT7KAT8SCN9AHTR6
SCHEMBL6286686 0.85 FEN1 (0.47) ACKR3KAT7KAT8SCN9AHTR6
SCHEMBL6714853 0.83 PTGES (0.46) ACKR3KAT7KAT8HTR6BCHE
SCHEMBL6286641 0.81 MAPT (0.46) ACKR3HTR6BCHE
SCHEMBL5870694 0.81 PTPRB (0.52) ACKR3KAT7KAT8HTR6BCHE
SCHEMBL5870788 0.81 ACKR3 (0.50) ACKR3KAT7KAT8HTR6BCHE
SCHEMBL5870776 0.81 ACKR3 (0.50) ACKR3KAT7KAT8HTR6BCHE
SCHEMBL5871030 0.81 ACKR3 (0.50) ACKR3KAT7KAT8HTR6BCHE

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-6872716-B2 Antipsychotic sulfonamide-heterocycles, and methods of use thereof SEPRACOR, INC. (US) 2005-03-29 US disclosed
US-20040235832-A1 ANTIPSYCHOTIC SULFONAMIDE-HETEROCYCLES, AND METHODS OF USE THEREOF WU XINHE (US) 2004-11-25 US disclosed
US-6703383-B2 HETEROCYCLIC COMPOUNDS COMPRISING A SULFONAMIDE GROUP TO TREAT DISEASES SUCH AS PSYCHOLOGICAL DISORDERS CAUSED BY ONE OR MORE PROTEIN-G COUPLED RECEPTORS OR LIGAND -GATED ION CHANNELS SEPRACOR, INC. 2004-03-09 US disclosed
US-20020065265-A1 Antipsychotic sulfonamide-heterocycles, and methods of use thereof SEPRACOR INC. 2002-05-30 US disclosed
WO-2002022579-A2 ANTIPSYCHOTIC SULFONAMIDE-HETEROCYCLES, AND METHODS OF USE THEREOF SEPRACOR, INC. (US) 2002-03-21 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-20020065265-A1 Antipsychotic sulfonamide-heterocycles, and methods of use thereof TRPV1, CNR2, TRPM5 ACKR3 1123/4885KAT7 3305/4885KAT8 2785/4885
US-20040235832-A1 ANTIPSYCHOTIC SULFONAMIDE-HETEROCYCLES, AND METHODS OF USE THEREOF TRPV1, CNR2, TRPM5 ACKR3 1123/4885KAT7 3305/4885KAT8 2785/4885

“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.