SCHEMBL6800697

SCHEMBL6800697

CC#CCC(CC#CC)(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(N2CCC(=O)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
ADAM17 P78536 7/20 0.34
MMP13 P45452 6/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP2 P08253 1/20 0.34
MMP14 P50281 1/20 0.34
TGFBR1 P36897 2/20 0.33
MMP1 P03956 1/20 0.33
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32
KCNQ2 O43526 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32

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
SCHEMBL6804715 0.83 GPR119 (0.36) GPR119MEN1KMT2ALMNAALDH1A1
SCHEMBL6930067 0.78 MMP13 (0.50) ALDH1A1ADAM17MMP13HTTSMN1; SMN2
SCHEMBL7561806 0.73 ADRB3 (0.62)
SCHEMBL6800336 0.73 NR1D1 (0.44) GPR119MEN1KMT2ALMNAALDH1A1
SCHEMBL6801149 0.70 MEN1 (0.52) GPR119MEN1KMT2ALMNAALDH1A1
SCHEMBL7628034 0.70 MMP13 (0.36) ALDH1A1ADAM17MMP13SMN1; SMN2MMP2
SCHEMBL6802888 0.69 NR1D1 (0.41) GPR119MEN1KMT2AALDH1A1MAPT
SCHEMBL23051649 0.68 GPR119 (0.47) GPR119MEN1KMT2ALMNAALDH1A1
SCHEMBL6934658 0.66 MMP1 (0.49) MEN1KMT2AADAM17MMP13MMP1
SCHEMBL17893648 0.66 LMNA (0.73) MEN1KMT2ALMNAALDH1A1MAPT

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 GPR119 4/4885MEN1 2627/4885KMT2A 1041/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 GPR119 4/4885MEN1 2724/4885KMT2A 906/4885

“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.