SCHEMBL6074264

SCHEMBL6074264

CS(=O)(=O)Nc1cc(C(=O)CCl)ccc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.50
F2 P00734 1/20 0.47
F10 P00742 1/20 0.47
PRSS1 P07477 1/20 0.47
F7 P08709 1/20 0.47
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
BRD4 O60885 4/20 0.46
AR P10275 1/20 0.46
EGFR P00533 1/20 0.46
ESRRA P11474 1/20 0.45
PTPN1 P18031 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45

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
SCHEMBL1221632 0.89 CYP19A1 (0.50) CYP19A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL23226755 0.89 CYP19A1 (0.54) CYP19A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL2010471 0.88 MAOB (0.54) CYP19A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL5784623 0.87 MAOB (0.51) CYP19A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL11091209 0.87 CYP19A1 (0.52) CYP19A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL15754360 0.87 SMN1; SMN2 (0.56) CYP19A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL21579055 0.85 CYP19A1 (0.47) CYP19A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL6074415 0.85 CYP19A1 (0.47) CYP19A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL10659205 0.85 CYP19A1 (0.50) CYP19A1SMN1; SMN2NPC1HPGDRAB9A
Water SCHEMBL10641992 0.84 CYP19A1 (0.49) CYP19A1SMN1; SMN2NPC1HPGDRAB9A

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 21 patents — showing the first 20. 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-6743787-B2 FOR THERAPY OF METABOLIC DISORDERS MEDIATED BY INSULIN RESISTANCE OR HYPERGLYCEMIA IN A MAMMAL WYETH 2004-06-01 US disclosed
US-6649603-B2 For therapy of metabolic disorders related to insulin resistance or hyperglycemia WYETH 2003-11-18 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
EP-1328512-A2 CYCLYLAMINE SULFONAMIDES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-07-23 EP 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
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP 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-6498170-B2 4-((2S)-3-(1-(4-BUTOXY-BENZENESULFONYL)-AZETIDIN-3-YLAMINO)-2 -HYDROXY- PROPOXY)-PHENOL FOR EXAMPLE; HYPOGLYCEMIC AGENT; INCREASING LEAN MEAT TO FAT RATIO IN MAMMALS WYETH 2002-12-24 US disclosed
US-20020169325-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists WYETH 2002-11-14 US disclosed
US-6444685-B1 THERAPY FOR METABOLISM DISEASES; DIETETICS; ANTIDIABETIC AGENTS WYETH 2002-09-03 US disclosed
US-6410734-B1 INSULIN RESISTANCE; HYPOGLYCEMIC AGENTS; ANTICHOLESTEROL AGENTS; GASTROINTESTINAL DISORDERS WYETH 2002-06-25 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
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US disclosed
US-20020022605-A1 Cyclamine sulfonamides as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-21 US disclosed
WO-2002006221-A2 CYCLYLAMINE SULFONAMIDES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO 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 (6 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 CYP19A1 1357/4885SMN1; SMN2 3999/4885NPC1 749/4885
US-20020022605-A1 Cyclamine sulfonamides as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 CYP19A1 1435/4885SMN1; SMN2 2197/4885NPC1 2371/4885
US-20020169325-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 CYP19A1 2407/4885SMN1; SMN2 3343/4885NPC1 856/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 CYP19A1 1357/4885SMN1; SMN2 3999/4885NPC1 749/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 CYP19A1 1421/4885SMN1; SMN2 2852/4885NPC1 1161/4885
US-20030176412-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 CYP19A1 2407/4885SMN1; SMN2 3343/4885NPC1 856/4885

“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.