SCHEMBL6801622

SCHEMBL6801622

COC(=O)CNS(=O)(=O)c1ccc(N2CCC(=O)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
GAA P10253 2/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
HPGD P15428 1/20 0.57
RAB9A P51151 1/20 0.57
LMNA P02545 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HBB P68871 1/20 0.51
HTR7 P34969 2/20 0.46
MAPT P10636 3/20 0.44
GFER P55789 1/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL6802631 0.89 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2GAAKDM4ENPC1
SCHEMBL6801149 0.88 MEN1 (0.52) ALDH1A1SMN1; SMN2GAAKDM4ENPC1
SCHEMBL6797196 0.85 GAA (0.54) ALDH1A1SMN1; SMN2GAAKDM4ELMNA
SCHEMBL7520826 0.83 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2GAAKDM4ENPC1
SCHEMBL6803205 0.80 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GAALMNAMEN1
SCHEMBL6802861 0.80 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GAALMNAMEN1
Trifluoroacetic Acid SCHEMBL7520815 0.79 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2GAAKDM4ELMNA
SCHEMBL6074092 0.79 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4ELMNAMEN1
SCHEMBL6801365 0.77 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GAAHPGDLMNA
SCHEMBL6074568 0.77 POLB (0.61) ALDH1A1SMN1; SMN2GAAKDM4ELMNA

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 ALDH1A1 2253/4885SMN1; SMN2 2820/4885GAA 2446/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 ALDH1A1 1800/4885SMN1; SMN2 2852/4885GAA 2167/4885

“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.