SCHEMBL6800548

SCHEMBL6800548

CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.63
MMP13 P45452 8/20 0.63
MMP9 P14780 7/20 0.63
MMP3 P08254 7/20 0.63
MMP1 P03956 6/20 0.63
MMP7 P09237 6/20 0.63
ADAMTS4 O75173 4/20 0.55
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51
SLC1A1 P43005 1/20 0.51
CA12 O43570 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
MMP14 P50281 2/20 0.50
CAPN1 P07384 1/20 0.49
MMP8 P22894 2/20 0.48

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
SCHEMBL6801083 1.00 MMP2 (0.63) MMP2MMP13MMP9MMP3MMP1
SCHEMBL7541195 0.87 MMP2 (0.51) MMP2MMP13MMP9MMP3MMP1
SCHEMBL12466926 0.83 MMP2 (0.66) MMP2MMP13MMP9MMP3MMP1
SCHEMBL6795703 0.81 CTSL (0.53) MMP2MMP13MMP9MMP3MMP1
SCHEMBL2161562 0.81 MMP2 (0.91) MMP2MMP13MMP9MMP3MMP1
SCHEMBL6797666 0.81 MMP2 (0.91) MMP2MMP13MMP9MMP3MMP1
SCHEMBL14943559 0.81 MMP2 (0.71) MMP2MMP13MMP9MMP3MMP1
SCHEMBL3842066 0.81 MMP2 (0.91) MMP2MMP13MMP9MMP3MMP1
SCHEMBL6800775 0.81 MMP9 (0.52) MMP2MMP13MMP9MMP3MMP1
SCHEMBL7406967 0.77 MMP2 (1.00) MMP2MMP13MMP9MMP3MMP1

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 MMP2 4466/4885MMP13 4574/4885MMP9 4812/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 MMP2 4374/4885MMP13 4520/4885MMP9 4782/4885

“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.