SCHEMBL6806676

SCHEMBL6806676

COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(N3CCC4(CC3)OCCO4)cc2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.55
EP300 Q09472 2/20 0.55
CNR2 P34972 4/20 0.55
CNR1 P21554 2/20 0.55
ALDH1A1 P00352 3/20 0.47
PGR P06401 2/20 0.47
NR3C1 P04150 1/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
EPAS1 Q99814 3/20 0.45
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR7 P34969 1/20 0.44
DRD3 P35462 1/20 0.44
HTR6 P50406 1/20 0.44
RORC P51449 1/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 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
SCHEMBL6803295 0.84 CNR2 (0.59) HIF1AEP300CNR2CNR1ALDH1A1
SCHEMBL6796954 0.83 ALDH1A1 (0.42) HIF1AEP300ALDH1A1LMNAHTT
SCHEMBL6801637 0.76 NR3C1 (0.63) HIF1AEP300CNR2CNR1ALDH1A1
SCHEMBL22273619 0.75 NR3C1 (0.42) CNR2CNR1ALDH1A1PGRNR3C1
SCHEMBL6802685 0.74 RORC (0.55) CNR2CNR1ALDH1A1RORCMAPT
SCHEMBL303551 0.73 LMNA (0.60) HIF1AEP300CNR2CNR1ALDH1A1
SCHEMBL6801072 0.73 RORC (0.47) CNR2CNR1RORC
SCHEMBL302099 0.73 KMT2A (0.54) CNR2CNR1LMNAHTR1AHTR2A
SCHEMBL17893758 0.72 ALDH1A1 (0.50) HIF1AALDH1A1LMNAHTR7HTT
SCHEMBL301830 0.69 HTR2C (0.61) HIF1AEP300CNR2CNR1ALDH1A1

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 HIF1A 1343/4885EP300 1089/4885CNR2 60/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 HIF1A 1286/4885EP300 1199/4885CNR2 42/4885

“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.