SCHEMBL7674723

SCHEMBL7674723

CS(=O)(=O)Nc1cc(CC(O)C(=O)O)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.59
ADRA2A P08913 2/20 0.58
ADRA2B P18089 2/20 0.58
ADRA2C P18825 2/20 0.58
ADRA1A P35348 2/20 0.58
ADRB3 P13945 15/20 0.55
ADRB2 P07550 7/20 0.50
ADRB1 P08588 3/20 0.50

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
SCHEMBL7674711 1.00 KDM6B (0.59) KDM6BADRA2AADRA2BADRA2CADRA1A
SCHEMBL7242198 0.83 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1AADRB3
SCHEMBL5317203 0.78 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1AADRB3
SCHEMBL8632112 0.77 ADRA2A (0.69) ADRA2AADRA2BADRA2CADRA1AADRB3
SCHEMBL30841998 0.75 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1AADRB3
SCHEMBL7670233 0.75 ADRB3 (0.72) ADRB3ADRB2ADRB1
SCHEMBL7670238 0.75 ADRB3 (0.72) ADRB3ADRB2ADRB1
SCHEMBL5691448 0.75 KDM6B (1.00) KDM6BADRA2BADRA1A
SCHEMBL18469325 0.75 KDM6B (1.00) KDM6BADRA2BADRA1A
SCHEMBL29350434 0.75 KDM6B (1.00) KDM6BADRA2BADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436914-B1 TREATING DIABETES, OBESITY, DEPRESSION, ACHALASIA OR INTESTINAL HYPERMOTILITY DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2002-08-20 US disclosed
US-20020026065-A1 2-hydroxy-3 - (4-hydroxy-3-sulfonamidophenyl) - propylamines useful as beta 3 adrenergic agonists SHER PHILIP M (US) 2002-02-28 US 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 (1 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-20020026065-A1 2-hydroxy-3 - (4-hydroxy-3-sulfonamidophenyl) - propylamines useful as beta 3 adrenergic agonists ADRB3, ADRB1, ADRA1A KDM6B 3593/4885ADRA2A 5/4885ADRA2B 8/4885

“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.