SCHEMBL6800554

SCHEMBL6800554

CCOC(=O)CN(CC(C)C)S(=O)(=O)c1ccc(N2CCC(=O)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 13/20 0.49
TAS2R14 Q9NYV8 1/20 0.43
TP53 P04637 1/20 0.42
MMP3 P08254 3/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL6799938 0.87 GAA (0.44) RORCTP53ALDH1A1NPSR1
SCHEMBL6800894 0.85 HTR2A (0.46) TAS2R14TP53
SCHEMBL6800301 0.84 KMT2A (0.51) ALDH1A1NPSR1
SCHEMBL6802180 0.81 ALDH1A1 (0.44) RORCALDH1A1NPSR1
SCHEMBL7339459 0.79 KMT2A (0.54) RORCTAS2R14MMP3ALDH1A1
SCHEMBL6800336 0.78 NR1D1 (0.44) RORCALDH1A1
SCHEMBL7342014 0.77 ALDH1A1 (0.64) TAS2R14MMP3ALDH1A1
SCHEMBL6799112 0.76 RORC (0.45) RORCALDH1A1
SCHEMBL6074818 0.75 HCRTR2 (0.45) ALDH1A1
SCHEMBL6802888 0.74 NR1D1 (0.41) RORCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040249172-A1 Process for the preparationof prostaglandins and analogues thereof RESOLUTION CHEMICALS LIMITED (GB) 2004-12-09 US disclosed
US-6743787-B2 FOR THERAPY OF METABOLIC DISORDERS MEDIATED BY INSULIN RESISTANCE OR HYPERGLYCEMIA IN A MAMMAL WYETH 2004-06-01 US disclosed
US-20030027795-A1 N-(4-sulfonylaryl)cyclylamine-2-hydroxyethylamines as beta-3 adrenergic receptor agonists WYETH 2003-02-06 US disclosed
US-6444685-B1 THERAPY FOR METABOLISM DISEASES; DIETETICS; ANTIDIABETIC AGENTS WYETH 2002-09-03 US disclosed
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION 2002-03-07 US disclosed
WO-2002006274-A1 N-(4-SULFONYLARYL)CYCLYLAMINE-2-HYDROXYETHYLAMINES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 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 (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-20040249172-A1 Process for the preparationof prostaglandins and analogues thereof PTGIS, PTGES, PTGES2 RORC 3657/4885TAS2R14 4059/4885TP53 4192/4885
US-20030027795-A1 N-(4-sulfonylaryl)cyclylamine-2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 RORC 1073/4885TAS2R14 2221/4885TP53 4712/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 RORC 1140/4885TAS2R14 2416/4885TP53 4785/4885

“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.