SCHEMBL6287578

SCHEMBL6287578

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(CC1CCCN(CCc2ccccc2)C1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.49
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
DRD3 P35462 1/20 0.47
ACHE P22303 1/20 0.44
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
BCHE P06276 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SERPINE1 P05121 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42
HTR2A P28223 1/20 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
SCHEMBL6714533 0.85 PTGES (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6714853 0.78 PTGES (0.46) NR3C1PTGESALOX5BCHEMEN1
SCHEMBL7724270 0.78 ACHE (0.57) DRD3ACHEBCHECHRNB2CHRNB4
SCHEMBL6290236 0.77 CCR5 (0.45) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1682315 0.74 HTR2A (0.53) NR3C1MEN1KMT2ASERPINE1HTR2A
SCHEMBL7148814 0.73 BCHE (0.56) NR3C1ACHEBCHEMEN1KMT2A
SCHEMBL6286968 0.73 HTR7 (0.49) MEN1KMT2AHTR2A
SCHEMBL7148075 0.71 BCHE (0.55) ACHEBCHEMEN1KMT2AHTR2A
SCHEMBL6290217 0.70 MEN1 (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1682358 0.69 HTR2A (0.61) NR3C1MEN1KMT2AHTR2ACXCR3

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 4 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

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 NR3C1 1304/4885DRD2 168/4885DRD1 220/4885
US-20040235832-A1 ANTIPSYCHOTIC SULFONAMIDE-HETEROCYCLES, AND METHODS OF USE THEREOF TRPV1, CNR2, TRPM5 NR3C1 1304/4885DRD2 168/4885DRD1 220/4885

“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.