SCHEMBL3576192

SCHEMBL3576192

CC(NCCc1ccc2c(S(=O)(=O)c3ccccc3)c[nH]c2c1)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.50
HTR2A P28223 6/20 0.50
HAT1 O14929 9/20 0.41
EP300 Q09472 9/20 0.41
MET P08581 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL3574158 0.90 SLC6A2 (0.61) SLC6A2HTR2AHAT1EP300MET
SCHEMBL3572082 0.86 SLC6A2 (0.48) SLC6A2HTR2AHAT1EP300MET
SCHEMBL3569687 0.84 SLC6A2 (0.60) SLC6A2HTR2AMETHDAC3HDAC4
SCHEMBL3575900 0.84 SLC6A2 (0.47) SLC6A2HTR2AHAT1EP300MET
SCHEMBL3567282 0.83 SLC6A2 (0.47) SLC6A2HTR2AHAT1EP300MET
SCHEMBL3567511 0.82 HTR2A (0.60) SLC6A2HTR2AMETTP53MAPT
SCHEMBL3562637 0.81 SLC6A2 (0.61) SLC6A2HTR2AMETTP53MAPT
SCHEMBL3565899 0.81 SLC6A2 (0.61) SLC6A2HTR2AHAT1EP300MET
SCHEMBL3575513 0.81 SLC6A2 (0.47) SLC6A2HTR2AHAT1EP300MET
SCHEMBL14469423 0.81 SLC6A2 (0.48) SLC6A2HTR2AMETTP53MAPT

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 8 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 claimed
EP-1973876-A2 SULFONYL SUBSTITUTED 1H-INDOLES AS LIGANDS FOR THE 5-HYDROXYTRYPTAMINE RECEPTORS Wyeth (US) 2008-10-01 EP claimed
US-20070203120-A1 Sulfonyl Substituted 1H-Indoles as Ligands for the 5-Hydroxytryptamine Receptors WYETH (US) 2007-08-30 US claimed
WO-2007084841-A2 SULFONYL SUBSTITUTED 1H-INDOLES AS LIGANDS FOR THE 5-HYDROXYTRYPTAMINE RECEPTORS WYETH (US) 2007-07-26 WO claimed
US-7645752-B2 Sulfonyl substituted 1H-indoles as ligands for the 5-hydroxytryptamine receptors WYETH LLC (US) 2010-01-12 US 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
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 20/4885HTR2A 3/4885HAT1 1863/4885

“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.