SCHEMBL6074644

SCHEMBL6074644

CS(=O)(=O)N(Cc1ccccc1)c1cc(OCC2CO2)ccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP19A1 P11511 2/20 0.40
PKM P14618 2/20 0.40
LMNA P02545 2/20 0.40
ACHE P22303 1/20 0.40
MAOB P27338 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN1 P18031 2/20 0.39
PTPN2 P17706 1/20 0.39
PTPN6 P29350 1/20 0.39
MMP9 P14780 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
SCHEMBL3287626 1.00 ALDH1A1 (0.43) ALDH1A1TDP1L3MBTL1SMN1; SMN2TP53
SCHEMBL3287624 1.00 ALDH1A1 (0.43) ALDH1A1TDP1L3MBTL1SMN1; SMN2TP53
SCHEMBL6074303 0.89 MMP9 (0.44) ALDH1A1TDP1SMN1; SMN2TP53CYP3A4
SCHEMBL5205310 0.83 ALDH1A1 (0.40) ALDH1A1TDP1SMN1; SMN2TP53CYP3A4
SCHEMBL5205302 0.83 ALDH1A1 (0.40) ALDH1A1TDP1SMN1; SMN2TP53CYP3A4
SCHEMBL963858 0.82 CYP19A1 (0.42) ALDH1A1L3MBTL1CYP19A1LMNAPTPN1
SCHEMBL3142767 0.81 MEN1 (0.40) ALDH1A1TDP1SMN1; SMN2TP53CYP3A4
SCHEMBL3142761 0.81 MEN1 (0.40) ALDH1A1TDP1SMN1; SMN2TP53CYP3A4
SCHEMBL5203422 0.81 MEN1 (0.40) ALDH1A1TDP1SMN1; SMN2TP53CYP3A4
SCHEMBL3287942 0.81 MEN1 (0.47) ALDH1A1TDP1SMN1; SMN2TP53CYP3A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
US-6821991-B2 FOR THERAPY OF METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA (ASSOCIATED WITH OBESITY OR GLUCOSE INTOLERANCE), ATHEROSCLEROSIS, GASTROINTESTINAL DISORDERS, NEUROGENETIC INFLAMMATION, FREQUENT URINATION WYETH 2004-11-23 US disclosed
US-20030176412-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists WYETH 2003-09-18 US disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
US-6583140-B2 Useful in treating or inhibiting metabolic disorders related to insulin resistance or hyperglycemia, atherosclerosis, gastrointestinal disorders WYETH 2003-06-24 US disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20020169325-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists WYETH 2002-11-14 US disclosed
US-6410734-B1 INSULIN RESISTANCE; HYPOGLYCEMIC AGENTS; ANTICHOLESTEROL AGENTS; GASTROINTESTINAL DISORDERS WYETH 2002-06-25 US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US disclosed
WO-2002006281-A1 2-SUBSTITUTED THIAZOLIDINONES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed
US-4004028-A BRONCHODILATION SMITHKLINE CORPORATION (US) 1977-01-18 US 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 (4 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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ALDH1A1 1091/4885TDP1 1110/4885L3MBTL1 3557/4885
US-20020169325-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ALDH1A1 447/4885TDP1 4002/4885L3MBTL1 3552/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ALDH1A1 1091/4885TDP1 1110/4885L3MBTL1 3557/4885
US-20030176412-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ALDH1A1 447/4885TDP1 4002/4885L3MBTL1 3552/4885

“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.