SCHEMBL6798014

SCHEMBL6798014

Cc1ccc(S(=O)(=O)c2ccc(C)c(-c3ccc(F)cc3)c2)cc1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.53
PTGS1 P23219 4/20 0.49
MAOA P21397 2/20 0.47
LOXL2 Q9Y4K0 2/20 0.47
LOX P28300 1/20 0.47
FFAR4 Q5NUL3 1/20 0.44

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
SCHEMBL778956 0.86 PTGS2 (0.50) PTGS2PTGS1FFAR4
SCHEMBL4616270 0.82 ALDH1A1 (0.52) PTGS2PTGS1FFAR4
SCHEMBL6262479 0.80 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL3750244 0.78 ABL1 (0.51) PTGS2
SCHEMBL20408989 0.78 ALDH1A1 (0.47) PTGS2FFAR4
SCHEMBL8978705 0.76 HSD11B1 (0.47) FFAR4
SCHEMBL3758978 0.76 GAA (0.46) PTGS2PTGS1
SCHEMBL29639004 0.76 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL27692347 0.75 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL27887044 0.75 ACHE (0.50) PTGS2

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 PTGS2 3905/4885PTGS1 3713/4885MAOA 2908/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 PTGS2 3857/4885PTGS1 3649/4885MAOA 2448/4885

“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.