SCHEMBL6074797

SCHEMBL6074797

CC(=O)c1ccc(OCc2ccccc2)c(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.66
SLC40A1 Q9NP59 1/20 0.53
MAOB P27338 2/20 0.52
CYP19A1 P11511 2/20 0.50
BRD4 O60885 2/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC2 Q92769 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
AR P10275 1/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
SMPD1 P17405 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL8608546 0.93 CYP19A1 (0.59) PTGDR2MAOBCYP19A1HDAC1HDAC3
SCHEMBL2010471 0.88 MAOB (0.54) PTGDR2MAOBCYP19A1BRD4HDAC1
SCHEMBL6074414 0.86 SLC40A1 (0.51) PTGDR2SLC40A1CYP19A1HDAC1HDAC3
SCHEMBL11671517 0.85 AR (0.52) PTGDR2MAOBCYP19A1BRD4HDAC1
SCHEMBL5784623 0.85 MAOB (0.51) PTGDR2MAOBCYP19A1BRD4HDAC1
SCHEMBL3290045 0.84 PTGDR2 (0.53) PTGDR2SLC40A1CYP19A1BRD4HDAC1
SCHEMBL7113230 0.83 MAOB (0.49) PTGDR2MAOBCYP19A1BRD4HDAC1
SCHEMBL6862758 0.83 MAPT (0.55) PTGDR2SLC40A1CYP19A1HDAC1HDAC3
SCHEMBL7109757 0.82 MAOB (0.48) PTGDR2MAOBCYP19A1BRD4HDAC1
SCHEMBL8607319 0.82 CYP19A1 (0.56) PTGDR2SLC40A1CYP19A1HDAC1HDAC3

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 PTGDR2 221/4885SLC40A1 4649/4885MAOB 786/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 PTGDR2 221/4885SLC40A1 4649/4885MAOB 786/4885

“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.