SCHEMBL6801915

SCHEMBL6801915

CCOC(=O)C1(NS(=O)(=O)c2ccc(F)cc2)CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.59
MMP13 P45452 13/20 0.59
PLAU P00749 1/20 0.52
PLAT P00750 1/20 0.52
HTT P42858 2/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP12 P39900 1/20 0.46
MMP14 P50281 1/20 0.46
PARG Q86W56 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6796931 0.99 MMP1 (0.58) MMP1MMP13PLAUPLATHTT
SCHEMBL6946064 0.83 MMP1 (0.70) MMP1MMP13MMP2MMP3MMP9
SCHEMBL27171451 0.82 PLAU (0.54) MMP1MMP13PLAUPLATHTT
SCHEMBL7141150 0.81 MMP1 (0.58) MMP1MMP13HTTMMP2MMP3
SCHEMBL6798542 0.80 PLAU (0.46) MMP1MMP13PLAUPLATHTT
SCHEMBL7067073 0.80 USP2 (0.67) MMP1MMP13PLAUPLATHTT
SCHEMBL16004841 0.80 MMP1 (0.61) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7134741 0.79 MMP1 (0.56) MMP1MMP13MMP2MMP3MMP9
SCHEMBL4614895 0.79 MMP1 (0.51) MMP1MMP13HTTUSP2SMN1; SMN2
SCHEMBL7886196 0.79 MMP1 (0.56) MMP1MMP13MMP2MMP3MMP9

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 MMP1 4669/4885MMP13 4574/4885PLAU 4429/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 MMP1 4605/4885MMP13 4520/4885PLAU 4494/4885

“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.