SCHEMBL6795523

SCHEMBL6795523

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.44
MMP8 P22894 1/20 0.44
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC1A2 P43004 2/20 0.41
MMP12 P39900 2/20 0.40
PLAU P00749 1/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
MMP2 P08253 3/20 0.39
MMP13 P45452 3/20 0.39
MMP1 P03956 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
CA2 P00918 1/20 0.39
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 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
SCHEMBL7626198 0.84 MMP2 (0.56) MMP3MMP8MMP12MMP2MMP13
SCHEMBL6799368 0.79 NPSR1 (0.54) MMP3MMP8MAPTSMN1; SMN2ALDH1A1
SCHEMBL7621166 0.79 MMP3 (0.57) MMP3MMP8SMN1; SMN2TDP1ALDH1A1
SCHEMBL6795881 0.76 MMP12 (0.43) MMP3MAPTSMN1; SMN2TDP1SLC1A2
SCHEMBL12520517 0.76 MMP2 (0.60) MMP3MMP8TDP1SLC1A2PLAU
SCHEMBL8776693 0.76 MMP2 (0.60) MMP3MMP8TDP1SLC1A2PLAU
SCHEMBL6795877 0.74 KMT2A (0.45) MMP3MMP8MAPTSMN1; SMN2TDP1
SCHEMBL6799819 0.74 SMN1; SMN2 (0.48) MMP3MMP8MAPTSMN1; SMN2TDP1
SCHEMBL17893595 0.74 SMN1; SMN2 (0.47) MAPTSMN1; SMN2ALDH1A1CA2GFER
SCHEMBL6797196 0.73 GAA (0.54) MMP3SMN1; SMN2TDP1MMP12ALDH1A1

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 MMP3 3945/4885MMP8 4788/4885MAPT 4140/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 MMP3 3867/4885MMP8 4735/4885MAPT 4309/4885

“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.