SCHEMBL4400388

SCHEMBL4400388

CC(CO)NCC(=O)c1ccc(O)c(NS(C)(=O)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.58
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
ADRA1A P35348 2/20 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
SCHEMBL21579056 0.88 ADRB3 (0.62) ADRB3ADRA2AADRA2BADRA2CADRA1A
SCHEMBL4395710 0.80 LMNA (0.48) ADRB3
SCHEMBL2546108 0.77 ADRB3 (0.64) ADRB3ADRA2AADRA2BADRA2CADRA1A
Hydrochloric Acid SCHEMBL11747192 0.77 ADRB3 (0.57) ADRB3ADRA2AADRA2BADRA2CADRA1A
SCHEMBL4395904 0.75 ALOX5 (0.53)
SCHEMBL4884668 0.75 ADRB3 (0.79) ADRB3
SCHEMBL15894590 0.73 ADRB3 (0.58) ADRB3ADRA2AADRA2BADRA2CADRA1A
SCHEMBL966589 0.73 ADRB3 (0.58) ADRB3ADRA2AADRA2BADRA2CADRA1A
SCHEMBL4398994 0.73 KDM4E (0.47) ADRB3
SCHEMBL4393587 0.72 KDM4E (0.46) ADRB3

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-8188150-B2 Use of beta-aminoalcohols in the treatment of inflammatory disorders and pain BIOCOPEA LIMITED (GB) 2012-05-29 US disclosed
US-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain BIOCOPEA LIMITED (GB) 2009-12-10 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-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, NR1H2 ADRB3 12/4885ADRA2A 29/4885ADRA2B 27/4885

“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.