SCHEMBL6796417

SCHEMBL6796417

CN(CC(=O)O)S(=O)(=O)c1ccc(N2CCC(=O)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 2/20 0.56
HPGD P15428 1/20 0.56
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
RORC P51449 2/20 0.42
MAPT P10636 2/20 0.42
ADRB2 P07550 3/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 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
SCHEMBL6801269 0.85 RORC (0.45) KMT2ASMN1; SMN2MEN1HPGDRORC
SCHEMBL6800301 0.84 KMT2A (0.51) KMT2ASMN1; SMN2MEN1HPGDALDH1A1
SCHEMBL6799462 0.82 MAPT (0.43) KMT2ASMN1; SMN2MEN1HPGDALDH1A1
SCHEMBL7524204 0.81 MAPT (0.42) KMT2ASMN1; SMN2MEN1HPGDALDH1A1
SCHEMBL7524192 0.80 MAPT (0.41) KMT2ASMN1; SMN2MEN1HPGDALDH1A1
SCHEMBL6802888 0.78 NR1D1 (0.41) KMT2ASMN1; SMN2MEN1HPGDALDH1A1
SCHEMBL6800336 0.74 NR1D1 (0.44) KMT2ASMN1; SMN2MEN1HPGDALDH1A1
SCHEMBL6800428 0.74 MEN1 (0.43) KMT2ASMN1; SMN2MEN1HPGDALDH1A1
SCHEMBL4771204 0.74 KEAP1 (0.66) KMT2ASMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL2334379 0.73 KEAP1 (0.56) KMT2ASMN1; SMN2MEN1KDM4EALDH1A1

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 KMT2A 1041/4885SMN1; SMN2 2820/4885MEN1 2627/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 KMT2A 906/4885SMN1; SMN2 2852/4885MEN1 2724/4885

“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.