SCHEMBL6796787

SCHEMBL6796787

CC(C)(C)OC(=O)CN(Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(N2CCC(=O)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RORC P51449 9/20 0.40
NR1D1 P20393 1/20 0.40
ALDH1A1 P00352 2/20 0.37
TAS2R14 Q9NYV8 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
MAPT P10636 1/20 0.36
TRPA1 O75762 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6802180 0.88 ALDH1A1 (0.44) MEN1KMT2AHPGDSMN1; SMN2RORC
SCHEMBL6800428 0.86 MEN1 (0.43) MEN1KMT2AHPGDSMN1; SMN2RORC
SCHEMBL6800336 0.86 NR1D1 (0.44) MEN1KMT2AHPGDSMN1; SMN2RORC
SCHEMBL6802888 0.82 NR1D1 (0.41) MEN1KMT2AHPGDSMN1; SMN2RORC
SCHEMBL6801388 0.76 ADRB3 (0.57)
SCHEMBL6801390 0.76 ADRB3 (0.57)
SCHEMBL6801149 0.69 MEN1 (0.52) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL6801401 0.69 USP2 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1HTR2A
SCHEMBL21315101 0.69 NR1D1 (0.56) MEN1KMT2ANR1D1ALDH1A1TAS2R14
SCHEMBL2195059 0.69 SMN1; SMN2 (0.49) SMN1; SMN2NR1D1ALDH1A1TAS2R14

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 MEN1 2627/4885KMT2A 1041/4885HPGD 2691/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 MEN1 2724/4885KMT2A 906/4885HPGD 2472/4885

“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.