SCHEMBL6320384

SCHEMBL6320384

COc1ccc(C(CC(C)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.73
ADRB2 P07550 12/20 0.73
ADRB1 P08588 9/20 0.73

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
SCHEMBL6320380 1.00 ADRB3 (0.73) ADRB3ADRB2ADRB1
Hydrochloric Acid SCHEMBL6321064 0.88 ADRB3 (0.64) ADRB3ADRB2ADRB1
Hydrochloric Acid SCHEMBL6321079 0.88 ADRB3 (0.64) ADRB3ADRB2ADRB1
Hydrochloric Acid SCHEMBL6329124 0.85 ADRB3 (0.74) ADRB3
Hydrochloric Acid SCHEMBL6321271 0.85 ADRB3 (0.74) ADRB3
Hydrochloric Acid SCHEMBL6322184 0.85 ADRB3 (0.74) ADRB3
SCHEMBL6322913 0.85 ADRB3 (0.61) ADRB3ADRB2ADRB1
SCHEMBL6322905 0.85 ADRB3 (0.61) ADRB3ADRB2ADRB1
SCHEMBL7672279 0.84 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL7672281 0.84 ADRB3 (1.00) ADRB3ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288187-A1 Inhibitor development for 4-hydroxyphenylpyruvate dioxygenase, employing tyrosinemia 1 as a model for human diseases mediated by 2-oxoacid utilizing dioxygenases ROCKEFELLER UNIVERSITY, THE 2005-12-29 US disclosed
US-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 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 (3 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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB2 3/4885ADRB1 1/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB2 3/4885ADRB1 1/4885
US-20050288187-A1 Inhibitor development for 4-hydroxyphenylpyruvate dioxygenase, employing tyrosinemia 1 as a model for human diseases mediated by 2-oxoacid utilizing dioxygenases HPD, TH, PDXK ADRB3 2897/4885ADRB2 3702/4885ADRB1 2842/4885

“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.