SCHEMBL6287536

SCHEMBL6287536

CC(C)(C)OC(=O)N1CCCC(CNc2ccccc2S(=O)(=O)c2cccs2)C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.53
ALDH1A1 P00352 7/20 0.49
LMNA P02545 1/20 0.49
HTR6 P50406 4/20 0.48
BCHE P06276 3/20 0.48
KDM1A O60341 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 1/20 0.43
KAT7 O95251 1/20 0.43
KAT8 Q9H7Z6 1/20 0.43
FEN1 P39748 1/20 0.43
SCN9A Q15858 1/20 0.43
IRAK1 P51617 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
SCHEMBL5870922 0.80 ACKR3 (0.58) ACKR3HTR6BCHEKDM1AKDM4E
SCHEMBL13875252 0.80 ACKR3 (0.58) ACKR3HTR6BCHEKDM1AKDM4E
SCHEMBL5870792 0.77 ACKR3 (0.67) ACKR3HTR6BCHEKDM1AKDM4E
SCHEMBL5871116 0.77 ACKR3 (0.67) ACKR3HTR6BCHEKDM1AKDM4E
SCHEMBL6286686 0.77 FEN1 (0.47) ACKR3ALDH1A1LMNAHTR6BCHE
SCHEMBL13875251 0.77 ACKR3 (0.54) ACKR3HTR6BCHEKDM1AMEN1
SCHEMBL6714776 0.77 ACKR3 (0.57) ACKR3HTR6BCHEKDM1AKDM4E
SCHEMBL21664407 0.76 TGFBR1 (0.62) ACKR3ALDH1A1LMNAHTR6BCHE
SCHEMBL3985931 0.74 METAP2 (0.70)
SCHEMBL27158621 0.73 KAT7 (0.56) ACKR3HTR6BCHEKDM1AKDM4E

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 1123/4885ALDH1A1 1473/4885LMNA 4455/4885
US-20040235832-A1 ANTIPSYCHOTIC SULFONAMIDE-HETEROCYCLES, AND METHODS OF USE THEREOF TRPV1, CNR2, TRPM5 ACKR3 1123/4885ALDH1A1 1473/4885LMNA 4455/4885

“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.