SCHEMBL6074417

SCHEMBL6074417

CC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1OCc1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.49
MAOA P21397 2/20 0.49
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
ADAM17 P78536 1/20 0.47
ADAMTS4 O75173 1/20 0.46
MMP13 P45452 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
AR P10275 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ESR1 P03372 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 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
SCHEMBL1221635 0.87 MAOB (0.53) MAOBMAOAMMP2MMP9MMP14
SCHEMBL1120930 0.78 MAOB (0.56) MAOBMAOAMMP2MMP9MMP14
SCHEMBL11596038 0.78 MAOB (0.61) MAOBMAOAKMT2AARESR1
SCHEMBL11470293 0.76 MAOB (0.58) MAOBMAOAMMP2MMP9MMP14
SCHEMBL6895382 0.75 MAOB (0.60) MAOBMAOAARESR1NR3C1
SCHEMBL4897816 0.73 EGFR (0.57) EGFRERBB2MMP2MMP9MMP14
SCHEMBL2201197 0.72 ELANE (0.64) TSHRKMT2ANPSR1METAP2ELANE
SCHEMBL3148815 0.70 MAPT (0.47) MAOBKMT2A
SCHEMBL13602386 0.69 KMT2A (0.53) TSHRKMT2ANPSR1METAP2ELANE
SCHEMBL6074797 0.69 PTGDR2 (0.66) MAOBKMT2AARNPSR1PTGDR2

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 6 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
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 MAOB 786/4885MAOA 1270/4885EGFR 1587/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 MAOB 786/4885MAOA 1270/4885EGFR 1587/4885

“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.