SCHEMBL3201770

SCHEMBL3201770

Cc1ccc(S(=O)(=O)n2ccc3c(CC(=O)O)cccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.61
HTR1A P08908 2/20 0.55
HTR1D P28221 2/20 0.55
HTR1B P28222 2/20 0.55
HTR1F P30939 2/20 0.55
HTR7 P34969 2/20 0.55
DRD3 P35462 2/20 0.55
DRD2 P14416 1/20 0.55
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
ALOX5 P09917 1/20 0.48
PTGS2 P35354 1/20 0.48
ALK Q9UM73 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL261059 0.90 HTR6 (0.67) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL13422056 0.86 HTR6 (0.57) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL9839131 0.86 HTR6 (0.65) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL31465568 0.85 HTR6 (0.59) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL10717262 0.84 HTR6 (0.55) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL9054387 0.84 HTR6 (0.67) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL10631513 0.84 HTR6 (0.63) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL2054135 0.83 HTR6 (0.65) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL13275322 0.83 HTR6 (0.65) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL30647074 0.83 HTR6 (0.65) HTR6HTR1AHTR1DHTR1BHTR1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671079-B2 Sulfonyltetrahydro-3H-benzo(e)indole-8-amine compounds as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-03-02 US disclosed
US-7671079-B2 Sulfonyltetrahydro-3H-benzo(e)indole-8-amine compounds as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-03-02 US disclosed
US-7671079-B2 Sulfonyltetrahydro-3H-benzo(e)indole-8-amine compounds as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-03-02 US disclosed
US-20080085925-A1 Sulfonyltetrahydro-3H-benzo(e)indole-8-amine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-04-10 US disclosed
US-20080085925-A1 Sulfonyltetrahydro-3H-benzo(e)indole-8-amine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-04-10 US disclosed
US-20080085925-A1 Sulfonyltetrahydro-3H-benzo(e)indole-8-amine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-04-10 US disclosed
US-7288561-B2 Sulfonyltetrahydro-3H-benzo(E)indole-8-amine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-30 US disclosed
US-7288561-B2 Sulfonyltetrahydro-3H-benzo(E)indole-8-amine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-30 US disclosed
US-7288561-B2 Sulfonyltetrahydro-3H-benzo(E)indole-8-amine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-30 US disclosed
EP-1682502-A1 SULFONYLTETRAHYDRO-3H-BENZO(E)INDOLE-8-AMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2006-07-26 EP disclosed
WO-2005047252-A1 SULFONYLTETRAHYDRO-3H-BENZO(E)INDOLE-8-AMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-05-26 WO disclosed
US-20050101596-A1 Sulfonyltetrahydro-3H-benzo(E)indole-8-amine compounds as 5-Hydroxytryptamine-6 ligands WYETH (US) 2005-05-12 US disclosed
US-20040092750-A1 2-methylindole-4-acetic acid, process for producing the same, and process for producing intermediate therefor ONO PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 US disclosed
EP-1367050-A1 2-METHYLINDOLE-4-ACETIC ACID, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING INTERMEDIATE THEREFOR ONO PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP 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 (3 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-20080085925-A1 Sulfonyltetrahydro-3H-benzo(e)indole-8-amine compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, TPH1 HTR6 1/4885HTR1A 4/4885HTR1D 17/4885
US-20040092750-A1 2-methylindole-4-acetic acid, process for producing the same, and process for producing intermediate therefor TPH2, ALDH7A1, IDO1 HTR6 105/4885HTR1A 40/4885HTR1D 88/4885
US-20050101596-A1 Sulfonyltetrahydro-3H-benzo(E)indole-8-amine compounds as 5-Hydroxytryptamine-6 ligands HTR6, HTR5A, TPH1 HTR6 1/4885HTR1A 4/4885HTR1D 17/4885

“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.