SCHEMBL6799368

SCHEMBL6799368

CC(C)NS(=O)(=O)c1ccc(N2CCC(=O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.54
MMP3 P08254 1/20 0.51
MMP8 P22894 1/20 0.51
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
BRD4 O60885 1/20 0.46
MAPT P10636 4/20 0.46
RECQL P46063 1/20 0.46
GAA P10253 1/20 0.45
GFER P55789 2/20 0.43
TP53 P04637 1/20 0.42
HTR7 P34969 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL17893595 0.83 SMN1; SMN2 (0.47) KMT2AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL7626198 0.83 MMP2 (0.56) MMP3MMP8
SCHEMBL18553764 0.82 ALDH1A1 (0.58) NPSR1MMP3MMP8KMT2AALDH1A1
SCHEMBL6801365 0.81 ALDH1A1 (0.54) KMT2AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL7621166 0.80 MMP3 (0.57) MMP3MMP8KMT2AALDH1A1SMN1; SMN2
SCHEMBL6795523 0.79 MMP3 (0.44) MMP3MMP8ALDH1A1SMN1; SMN2LMNA
SCHEMBL6795877 0.78 KMT2A (0.45) MMP3MMP8KMT2AALDH1A1SMN1; SMN2
SCHEMBL10395197 0.77 AKR1C3 (0.53) KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL6795881 0.77 MMP12 (0.43) MMP3ALDH1A1SMN1; SMN2PKMMAPT
SCHEMBL6800812 0.76 MAPT (0.49) NPSR1MMP3MMP8KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20030027795-A1 N-(4-sulfonylaryl)cyclylamine-2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 NPSR1 154/4885MMP3 3945/4885MMP8 4788/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 NPSR1 135/4885MMP3 3867/4885MMP8 4735/4885

“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.