SCHEMBL3567564

SCHEMBL3567564

O=S(=O)(c1ccccc1)c1c[nH]c2cc(CCO)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MET P08581 1/20 0.43
HTR2A P28223 11/20 0.43
HTR6 P50406 4/20 0.42
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40

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
SCHEMBL3568706 0.90 HDAC3 (0.52) SLC6A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL14469423 0.87 SLC6A2 (0.48) SLC6A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3572358 0.87 SLC6A2 (0.56) SLC6A2HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL3574473 0.86 SLC6A2 (0.55) SLC6A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3569687 0.84 SLC6A2 (0.60) SLC6A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3579618 0.84 HTR2A (0.59) SLC6A2HTR2AHTR6HTR2C
Hydrochloric Acid SCHEMBL3579549 0.83 HTR2A (0.58) SLC6A2HTR2AHTR6HTR2C
SCHEMBL3582410 0.82 SLC6A2 (0.48) SLC6A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3567511 0.82 HTR2A (0.60) SLC6A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL13544583 0.82 SLC6A2 (0.40) SLC6A2HDAC3HDAC4HDAC1HDAC7

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 10 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
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
EP-1973876-A2 SULFONYL SUBSTITUTED 1H-INDOLES AS LIGANDS FOR THE 5-HYDROXYTRYPTAMINE RECEPTORS Wyeth (US) 2008-10-01 EP 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
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 SLC6A2 20/4885HDAC3 2273/4885HDAC4 2465/4885

“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.