SCHEMBL6714853

SCHEMBL6714853

CC(C)(C)OC(=O)N1CCCC(CN(c2ccccc2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.46
ALOX5 P09917 2/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KAT7 O95251 1/20 0.43
KAT8 Q9H7Z6 1/20 0.43
EPHX2 P34913 1/20 0.43
ACKR3 P25106 1/20 0.43
NR3C1 P04150 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
BCHE P06276 2/20 0.42
HTR6 P50406 2/20 0.42
LIMK2 P53671 1/20 0.42
LIPE Q05469 1/20 0.42
ABHD6 Q9BV23 2/20 0.42

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
SCHEMBL6709313 0.88 ACKR3 (0.45) PTGESALOX5KMT2AMEN1KAT7
SCHEMBL6287403 0.83 ACKR3 (0.50) KAT7KAT8ACKR3BCHEHTR6
SCHEMBL6286686 0.80 FEN1 (0.47) LMNAKMT2AKAT7KAT8ACKR3
SCHEMBL6287578 0.78 NR3C1 (0.49) PTGESALOX5LMNAGAAHTT
SCHEMBL21708249 0.77 KAT7 (0.47) KAT7KAT8ACKR3KEAP1NFE2L2
SCHEMBL3444143 0.77 CHEK2 (0.55) KAT7KAT8EPHX2ACKR3GPR119
SCHEMBL3444142 0.77 CHEK2 (0.55) KAT7KAT8EPHX2ACKR3GPR119
SCHEMBL6286641 0.77 MAPT (0.46) HTTACKR3BCHEHTR6
SCHEMBL6711024 0.74 HTR6 (0.46) LMNAHTTKMT2AMEN1KAT7
SCHEMBL1807945 0.73 GPR119 (0.57) GPR119LIPE

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 PTGES 3171/4885ALOX5 2428/4885LMNA 4455/4885
US-20040235832-A1 ANTIPSYCHOTIC SULFONAMIDE-HETEROCYCLES, AND METHODS OF USE THEREOF TRPV1, CNR2, TRPM5 PTGES 3171/4885ALOX5 2428/4885LMNA 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.