SCHEMBL6073863

SCHEMBL6073863

CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCC(=O)CC3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
POLB P06746 2/20 0.76
ALDH1A1 P00352 7/20 0.60
GAA P10253 5/20 0.60
KMT2A Q03164 5/20 0.59
MAPT P10636 4/20 0.56
KDM4E B2RXH2 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
APAF1 O14727 1/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MEN1 O00255 4/20 0.56
MAPK1 P28482 1/20 0.55
CYP3A4 P08684 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
KDM1A O60341 1/20 0.54

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
SCHEMBL7302053 0.87 MAPT (0.73) GFERL3MBTL1POLBALDH1A1GAA
SCHEMBL28751618 0.84 ALDH1A1 (0.56) GFERL3MBTL1POLBALDH1A1GAA
SCHEMBL6074374 0.84 POLB (0.59) GFERL3MBTL1POLBALDH1A1GAA
SCHEMBL6074068 0.82 CES1 (0.61) GFERL3MBTL1POLBALDH1A1KMT2A
SCHEMBL6073870 0.81 HTT (0.56) GFERL3MBTL1POLBALDH1A1GAA
SCHEMBL6075221 0.81 POLB (0.77) GFERL3MBTL1POLBALDH1A1GAA
SCHEMBL6074493 0.81 KMT2A (0.75) ALDH1A1GAAKMT2AMAPTKDM4E
SCHEMBL6074092 0.80 ALDH1A1 (0.54) GFERL3MBTL1POLBALDH1A1KMT2A
SCHEMBL6074095 0.80 GHSR (0.67) GFERL3MBTL1POLB
SCHEMBL6982597 0.80 ALDH1A1 (0.53) GFERL3MBTL1POLBALDH1A1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
CN-1455771-A Cyclic amine phenyl Beta-3 adrenergic receptor agonists WYETH LTD (US) 2003-11-12 CN disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL 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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 GFER 3584/4885L3MBTL1 3557/4885POLB 1964/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 GFER 3584/4885L3MBTL1 3557/4885POLB 1964/4885

“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.