SCHEMBL6795703

SCHEMBL6795703

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.53
CTSS P25774 2/20 0.53
CTSK P43235 2/20 0.53
MMP1 P03956 3/20 0.50
MMP2 P08253 3/20 0.50
MMP9 P14780 3/20 0.50
MMP13 P45452 3/20 0.50
MMP3 P08254 2/20 0.50
MMP7 P09237 2/20 0.50
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
BACE1 P56817 1/20 0.47
AIMP2 Q13155 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PLAU P00749 1/20 0.46
HPN P05981 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP8 P22894 1/20 0.44

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
SCHEMBL9596098 0.86 TDP1 (0.54) MMP1MMP2MMP9MMP13MMP3
SCHEMBL8998137 0.85 BACE1 (0.50) CTSLCTSSCTSKMMP1MMP2
SCHEMBL8133560 0.85 MMP1 (0.51) CTSLCTSSCTSKMMP1MMP2
SCHEMBL9595491 0.84 MMP13 (0.50) CTSLCTSSCTSKMMP1MMP2
SCHEMBL9594962 0.84 MMP2 (0.50) MMP1MMP2MMP9MMP13MMP3
SCHEMBL7466653 0.83 MMP2 (0.69) CTSLCTSSCTSKMMP1MMP2
SCHEMBL7062885 0.83 MMP2 (0.69) CTSLCTSSCTSKMMP1MMP2
SCHEMBL7469215 0.83 MMP2 (0.69) CTSLCTSSCTSKMMP1MMP2
SCHEMBL9132706 0.83 MMP1 (0.49) CTSLCTSSCTSKMMP1MMP2
SCHEMBL6800548 0.81 MMP2 (0.63) MMP1MMP2MMP9MMP13MMP3

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 CTSL 4218/4885CTSS 3817/4885CTSK 3698/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 CTSL 4078/4885CTSS 3671/4885CTSK 3511/4885

“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.