SCHEMBL6799209

SCHEMBL6799209

COc1ccc(N(C(=O)O)S(=O)(=O)c2ccc(F)cc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
TP53 P04637 2/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
F2 P00734 1/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 1/20 0.47
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
TAS2R14 Q9NYV8 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL1856515 0.79 MAPT (0.44) MAPTTP53THRBKMT2AALDH1A1
SCHEMBL6801637 0.78 NR3C1 (0.63) MAPTKMT2AALDH1A1KEAP1NFE2L2
SCHEMBL6796954 0.74 ALDH1A1 (0.42) MAPTTP53THRBKMT2AALDH1A1
SCHEMBL4014515 0.73 PTGDR2 (0.41) MAPTTP53THRBKMT2AALDH1A1
SCHEMBL4007168 0.73 PTGDR2 (0.43) MAPTTP53THRBKMT2AALDH1A1
SCHEMBL9047016 0.72 HSD17B10 (0.56) MAPTTP53KMT2AALDH1A1HPGD
SCHEMBL20428406 0.70 NR1H4 (0.43) MAPTKMT2AALDH1A1HPGDPOLB
SCHEMBL18546039 0.70 TP53 (0.69) MAPTTP53THRBKMT2AALDH1A1
SCHEMBL31267400 0.70 ABCB1 (0.50) MAPTKMT2AALDH1A1HPGDPOLB
Methane SCHEMBL7205873 0.69 TSHR (0.54) MAPTPOLBTAS2R14

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 MAPT 4140/4885TP53 4712/4885THRB 43/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 MAPT 4309/4885TP53 4785/4885THRB 46/4885

“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.