SCHEMBL6801353

SCHEMBL6801353

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
AIMP2 Q13155 1/20 0.50
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.42
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL7627300 0.88 MMP2 (0.52) MEN1KMT2AAIMP2LMNAMAPK1
SCHEMBL6799409 0.86 TSHR (0.48) MEN1KMT2ALMNAMAPK1SMN1; SMN2
SCHEMBL6799810 0.83 MEN1 (0.49) MEN1KMT2AAIMP2LMNASMN1; SMN2
SCHEMBL6801362 0.80 TP53 (0.47) MEN1KMT2AAIMP2LMNAMAPK1
SCHEMBL6800812 0.79 MAPT (0.49) MEN1KMT2ALMNAMAPK1SMN1; SMN2
SCHEMBL7621959 0.77 MMP12 (0.56) MEN1KMT2ALMNAMAPK1SMN1; SMN2
SCHEMBL6799370 0.76 SMN1; SMN2 (0.67) KMT2ALMNAMAPK1SMN1; SMN2TSHR
SCHEMBL7129353 0.76 MEN1 (0.46) MEN1KMT2ALMNAMAPK1SMN1; SMN2
SCHEMBL6799415 0.76 LMNA (0.47) MEN1KMT2ALMNAMAPK1SMN1; SMN2
SCHEMBL6795703 0.74 CTSL (0.53) MEN1KMT2AAIMP2LMNAALDH1A1

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 4 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-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 MEN1 2627/4885KMT2A 1041/4885AIMP2 4518/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 MEN1 2724/4885KMT2A 906/4885AIMP2 4550/4885

“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.