SCHEMBL6806989

SCHEMBL6806989

CCOC(=O)C1(NS(=O)(=O)c2ccc(N3CCC(=O)CC3)cc2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.47
PLAT P00750 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 4/20 0.39
PARG Q86W56 2/20 0.38
MMP1 P03956 3/20 0.38
MMP13 P45452 3/20 0.38
MAPT P10636 4/20 0.37
RECQL P46063 1/20 0.37
GFER P55789 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL6798542 0.99 PLAU (0.46) PLAUPLATMEN1KMT2AALDH1A1
SCHEMBL7129353 0.84 MEN1 (0.46) PLAUPLATMEN1KMT2AALDH1A1
SCHEMBL6796931 0.79 MMP1 (0.58) PLAUPLATALDH1A1PARGMMP1
SCHEMBL6801915 0.78 MMP1 (0.59) PLAUPLATALDH1A1PARGMMP1
SCHEMBL6802631 0.77 ALDH1A1 (0.62) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL6795877 0.76 KMT2A (0.45) MEN1KMT2AALDH1A1MMP1MMP13
SCHEMBL27171451 0.76 PLAU (0.54) PLAUPLATMEN1KMT2AALDH1A1
SCHEMBL6803205 0.73 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MMP1MMP13
SCHEMBL6074611 0.73 MEN1 (0.78) MEN1KMT2AALDH1A1MAPTRECQL
SCHEMBL6799810 0.72 MEN1 (0.49) MEN1KMT2AALDH1A1MMP1MMP13

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 PLAU 4429/4885PLAT 4695/4885MEN1 2627/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 PLAU 4494/4885PLAT 4693/4885MEN1 2724/4885

“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.