SCHEMBL3539746

SCHEMBL3539746

Cc1ccc(S(=O)(=O)OCCC(C)c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.36
HTR2B P41595 5/20 0.36
DRD2 P14416 3/20 0.36
HTR2C P28335 2/20 0.36
AKR1B1 P15121 1/20 0.34
IDO1 P14902 1/20 0.34
HTR7 P34969 1/20 0.33
NPY5R Q15761 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
RRM1 P23921 1/20 0.33
RRM2B Q7LG56 1/20 0.33

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
SCHEMBL3531152 0.84 HTR6 (0.47) HTR6HTR2BDRD2HTR2CAKR1B1
SCHEMBL3536038 0.83 HTR6 (0.49) HTR6HTR2BDRD2HTR2CAKR1B1
SCHEMBL3529109 0.83 HTR6 (0.38) HTR6HTR2BDRD2HTR2CAKR1B1
SCHEMBL3532194 0.83 HTR6 (0.38) HTR6HTR2BDRD2HTR2CAKR1B1
SCHEMBL3528856 0.77 AKR1B1 (0.43) HTR6HTR2BDRD2HTR2CAKR1B1
SCHEMBL4793058 0.77 SLC22A12 (0.41) HTR6HTR2BDRD2HTR2CAKR1B1
Ammonia Solution, Strong SCHEMBL4778337 0.74 HTR6 (0.43) HTR6HTR2BDRD2HTR2CAKR1B1
SCHEMBL3532362 0.73 HTR6 (0.43) HTR6HTR2BHTR2CAKR1B1
SCHEMBL3533189 0.73 HTR6 (0.48) HTR6HTR2BDRD2HTR2CHTR7
SCHEMBL3532438 0.71 CA12 (0.46)

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-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
EP-1931640-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 WO disclosed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 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 (1 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-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders HTR6, TPH1, HTR1A HTR6 1/4885HTR2B 22/4885DRD2 117/4885

“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.