SCHEMBL6801072

SCHEMBL6801072

CC(C)(C)C(=O)N(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 0.47
CNR2 P34972 2/20 0.46
CNR1 P21554 1/20 0.46
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.40
HSD11B1 P28845 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.39
HPGD P15428 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
SCHEMBL6802685 0.79 RORC (0.55) RORCCNR2CNR1TP53
SCHEMBL29165498 0.75 TAS2R14 (0.60) CNR2CNR1TSHRHSD11B1POLB
SCHEMBL6801057 0.74 TAS2R14 (0.59) CNR2CNR1HSD11B1
SCHEMBL6806676 0.73 HIF1A (0.55) RORCCNR2CNR1
SCHEMBL963785 0.73 POLB (0.55) TSHRTP53POLBHPGD
SCHEMBL10473148 0.70 KMT2A (0.50) TSHRPOLB
SCHEMBL10394428 0.69 AKR1C3 (0.54) TSHRPOLB
SCHEMBL6797289 0.69 KMT2A (0.47) TSHRPOLBHPGD
SCHEMBL6796954 0.68 ALDH1A1 (0.42) TP53POLB
SCHEMBL6074333 0.67 LGMN (0.44) TSHRPOLBHPGD

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 RORC 1073/4885CNR2 60/4885CNR1 24/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 RORC 1140/4885CNR2 42/4885CNR1 18/4885

“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.