SCHEMBL1553345

SCHEMBL1553345

O=C(c1cc2ccccc2[nH]1)N1CCS(=O)(=O)CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.72
HRH3 Q9Y5N1 2/20 0.70
POLB P06746 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
AKR1C3 P42330 7/20 0.60
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
DRD2 P14416 1/20 0.55
DRD3 P35462 1/20 0.55
RBP4 P02753 1/20 0.54
HRH1 P35367 1/20 0.53

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
SCHEMBL23712369 0.87 HRH4 (0.75) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL28469741 0.85 HRH4 (0.74) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL2350768 0.85 HRH4 (0.78) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL604932 0.84 HRH4 (1.00) HRH4HRH3POLBSMN1; SMN2HRH1
SCHEMBL2345954 0.84 HRH4 (0.76) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL29944207 0.84 HRH4 (0.76) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL2679610 0.82 HRH4 (1.00) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL29699763 0.82 HRH4 (1.00) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL23493675 0.82 HRH4 (0.51) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL3253717 0.81 POLB (1.00) HRH4HRH3POLBSMN1; SMN2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101316838-B 1,1-dioxo-thiomorpholinyl indolyl methanone derivatives for use as h3 modulators HOFFMANN LA ROCHE 2013-01-30 CN disclosed
EP-1968967-B1 1,1-DIOXO-THIOMORPHOLINYL INDOLYL METHANONE DERIVATIVES FOR USE AS H3 MODULATORS HOFFMANN LA ROCHE (CH) 2011-04-27 EP disclosed
US-7538101-B2 1,1-dioxo-thiomorpholinyl indolyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-05-26 US disclosed
US-7538101-B2 1,1-dioxo-thiomorpholinyl indolyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-05-26 US disclosed
CN-101316838-A 1,1-dioxo-thiomorpholinyl indolyl methanone derivatives for use as h3 modulators HOFFMANN LA ROCHE (CH) 2008-12-03 CN disclosed
EP-1968967-A1 1,1-DIOXO-THIOMORPHOLINYL INDOLYL METHANONE DERIVATIVES FOR USE AS H3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-17 EP disclosed
WO-2007062997-A1 1,1-DIOXO-THIOMORPHOLINYL INDOLYL METHANONE DERIVATIVES FOR USE AS H3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123526-A1 1,1-Dioxo-thiomorpholinyl indolyl methanone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 US disclosed
US-20070123526-A1 1,1-Dioxo-thiomorpholinyl indolyl methanone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 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-20070123526-A1 1,1-Dioxo-thiomorpholinyl indolyl methanone derivatives MTNR1A, HTR1A, HRH4 HRH4 3/4885HRH3 4/4885POLB 2909/4885

“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.