SCHEMBL6799415

SCHEMBL6799415

CCCC(C)[C@H](NS(=O)(=O)c1ccc(N2CCC3(CC2)OCCO3)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.46
MMP12 P39900 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.40
ADAMTS4 O75173 1/20 0.40
POLB P06746 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL7621959 0.88 MMP12 (0.56) LMNAMAPK1SMN1; SMN2TSHRMMP12
SCHEMBL6801362 0.85 TP53 (0.47) LMNAMAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL6795881 0.83 MMP12 (0.43) SMN1; SMN2MMP12ALDH1A1MAPTGAA
SCHEMBL6799409 0.81 TSHR (0.48) LMNAMAPK1SMN1; SMN2TSHRMMP12
SCHEMBL7627300 0.81 MMP2 (0.52) LMNAMAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL6800812 0.80 MAPT (0.49) LMNAMAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL6801353 0.76 MEN1 (0.50) LMNAMAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL6799424 0.75 SMN1; SMN2 (0.48) LMNAMAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL6799370 0.74 SMN1; SMN2 (0.67) LMNAMAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL6801369 0.74 SMN1; SMN2 (0.48) LMNAMAPK1SMN1; SMN2TSHRALDH1A1

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 LMNA 1552/4885MAPK1 1300/4885SMN1; SMN2 2820/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 LMNA 1464/4885MAPK1 1158/4885SMN1; SMN2 2852/4885

“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.