SCHEMBL3576874

SCHEMBL3576874

C=Cc1cccc2c(S(=O)(=O)c3ccccc3)c[nH]c12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 10/20 0.52
▸ MET P08581 1/20 0.49
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ FEN1 P39748 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ SLC6A2 P23975 3/20 0.39
▸ KCNH2 Q12809 2/20 0.37
▸ HTR2A P28223 2/20 0.37

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
SCHEMBL3576085 0.78 HTR6 (0.55) HTR6METFEN1HDAC3HDAC4
SCHEMBL14609602 0.78 HTR6 (0.55) HTR6METFEN1SLC6A2
SCHEMBL2510567 0.77 HDAC8 (0.61) HTR6METHDAC3HDAC4HDAC1
SCHEMBL2510569 0.77 HDAC8 (0.61) HTR6METHDAC3HDAC4HDAC1
SCHEMBL4686357 0.77 HTR6 (0.52) HTR6METSLC6A2KCNH2HTR2A
SCHEMBL3570991 0.77 SLC6A2 (0.56) HTR6METTSHRHTTSLC6A2
SCHEMBL8358069 0.76 HTR6 (0.44) HTR6METTSHRHTTFEN1
SCHEMBL26615292 0.74 TSHR (0.61) HTR6TSHRHTT
SCHEMBL467569 0.73 TSHR (0.51) HTR6TSHRHTTFEN1
SCHEMBL3533371 0.73 AKR1B1 (0.37) HTR6METTSHRHTTFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645752-B2 Sulfonyl substituted 1H-indoles as ligands for the 5-hydroxytryptamine receptors WYETH LLC (US) 2010-01-12 — — US disclosed
US-7645752-B2 Sulfonyl substituted 1H-indoles as ligands for the 5-hydroxytryptamine receptors WYETH LLC (US) 2010-01-12 — — US disclosed
CN-101370775-A Sulfonyl-substituted 1H-indoles as 5-hydroxytryptamine receptor ligands WYETH CORP (US) 2009-02-18 — — CN disclosed
US-20070203120-A1 Sulfonyl Substituted 1H-Indoles as Ligands for the 5-Hydroxytryptamine Receptors WYETH (US) 2007-08-30 — — US disclosed
US-20070203120-A1 Sulfonyl Substituted 1H-Indoles as Ligands for the 5-Hydroxytryptamine Receptors WYETH (US) 2007-08-30 — — US disclosed
US-20070203120-A1 Sulfonyl Substituted 1H-Indoles as Ligands for the 5-Hydroxytryptamine Receptors WYETH (US) 2007-08-30 — — US disclosed
WO-2007084841-A2 SULFONYL SUBSTITUTED 1H-INDOLES AS LIGANDS FOR THE 5-HYDROXYTRYPTAMINE RECEPTORS WYETH (US) 2007-07-26 — — 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 (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-20070203120-A1 Sulfonyl Substituted 1H-Indoles as Ligands for the 5-Hydroxytryptamine Receptors HTR5A, HTR2C, HTR2A HTR6 6/4885MET 1970/4885TSHR 193/4885

“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.

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