SCHEMBL6711024

SCHEMBL6711024

CC(C)(C)OC(=O)N1CCCC(CN(c2ccccc2Oc2ccccc2)S(C)(=O)=O)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.46
BCHE P06276 4/20 0.46
KAT7 O95251 1/20 0.46
KAT8 Q9H7Z6 1/20 0.46
SCN9A Q15858 1/20 0.46
ACKR3 P25106 1/20 0.45
MC4R P32245 1/20 0.44
KDM1A O60341 1/20 0.44
AHCY P23526 1/20 0.42
FEN1 P39748 1/20 0.42
USP30 Q70CQ3 3/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
APLNR P35414 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
SCHEMBL6287403 0.86 ACKR3 (0.50) HTR6BCHEKAT7KAT8SCN9A
SCHEMBL6714776 0.77 ACKR3 (0.57) HTR6BCHEKAT7KAT8ACKR3
SCHEMBL5338150 0.76 MC4R (0.65) MC4R
SCHEMBL1155961 0.76 KDM4E (0.50) HTR6BCHEACKR3KDM1AUSP30
SCHEMBL5338194 0.76 MC4R (0.64) MC4RALDH1A1
SCHEMBL3324264 0.75 SCN9A (0.54) HTR6BCHEKAT7KAT8SCN9A
SCHEMBL3324259 0.75 SCN9A (0.54) HTR6BCHEKAT7KAT8SCN9A
SCHEMBL3443784 0.75 CHEK2 (0.56) HTR6BCHEKAT7KAT8SCN9A
SCHEMBL3443787 0.75 CHEK2 (0.56) HTR6BCHEKAT7KAT8SCN9A
SCHEMBL6709313 0.74 ACKR3 (0.45) HTR6BCHEKAT7KAT8SCN9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HTR6 231/4885BCHE 3426/4885KAT7 3305/4885
US-20040235832-A1 ANTIPSYCHOTIC SULFONAMIDE-HETEROCYCLES, AND METHODS OF USE THEREOF TRPV1, CNR2, TRPM5 HTR6 231/4885BCHE 3426/4885KAT7 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.