SCHEMBL6286686

SCHEMBL6286686

CC(C)(C)OC(=O)N1CCCC(CN(c2ccccc2)S(=O)(=O)c2cccs2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.47
ACKR3 P25106 1/20 0.47
KAT7 O95251 1/20 0.43
KAT8 Q9H7Z6 1/20 0.43
SCN9A Q15858 1/20 0.43
BCHE P06276 3/20 0.42
HTR6 P50406 3/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
KDM1A O60341 1/20 0.41
USP30 Q70CQ3 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
TGFBR1 P36897 2/20 0.41
HPGD P15428 1/20 0.41
LIMK2 P53671 1/20 0.41
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL6287403 0.85 ACKR3 (0.50) FEN1ACKR3KAT7KAT8SCN9A
SCHEMBL6709313 0.83 ACKR3 (0.45) FEN1ACKR3KAT7KAT8SCN9A
SCHEMBL6714853 0.80 PTGES (0.46) ACKR3KAT7KAT8BCHEHTR6
SCHEMBL5870939 0.80 ACKR3 (0.50) FEN1ACKR3KAT7KAT8BCHE
SCHEMBL6286641 0.79 MAPT (0.46) ACKR3BCHEHTR6ALDH1A1HPGD
SCHEMBL6287536 0.77 ACKR3 (0.53) FEN1ACKR3KAT7KAT8SCN9A
SCHEMBL5870694 0.75 PTPRB (0.52) FEN1ACKR3KAT7KAT8BCHE
SCHEMBL5870788 0.75 ACKR3 (0.50) FEN1ACKR3KAT7KAT8BCHE
SCHEMBL5871030 0.75 ACKR3 (0.50) FEN1ACKR3KAT7KAT8BCHE
SCHEMBL5870776 0.75 ACKR3 (0.50) FEN1ACKR3KAT7KAT8BCHE

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 FEN1 4883/4885ACKR3 1123/4885KAT7 3305/4885
US-20040235832-A1 ANTIPSYCHOTIC SULFONAMIDE-HETEROCYCLES, AND METHODS OF USE THEREOF TRPV1, CNR2, TRPM5 FEN1 4883/4885ACKR3 1123/4885KAT7 3305/4885

“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.