SCHEMBL4904772

SCHEMBL4904772

CC(C)(CCn1cnc(-c2cccc(CC(=O)O)c2)c1)NCC(O)c1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.41
ADRB2 P07550 7/20 0.40
PHGDH O43175 1/20 0.40
PTGIR P43119 1/20 0.38
MAPT P10636 1/20 0.37
ADRB1 P08588 1/20 0.37
FABP4 P15090 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL4900631 0.96 ADRB3 (0.39) ADRB3ADRB2PHGDHPTGIRMAPT
SCHEMBL4900957 0.93 ADRB3 (0.40) ADRB3ADRB2PHGDHADRB1
SCHEMBL4899119 0.93 ADRB3 (0.42) ADRB3ADRB2MAPTADRB1FABP4
SCHEMBL2201260 0.92 ADRB3 (0.44) ADRB3ADRB2MAPTADRB1ALDH1A1
Trifluoroacetic Acid SCHEMBL4616140 0.90 ADRB3 (0.40) ADRB3ADRB2MAPTADRB1FABP4
Trifluoroacetic Acid SCHEMBL4899089 0.90 ADRB3 (0.40) ADRB3ADRB2PHGDHADRB1
SCHEMBL4617849 0.88 ADRB3 (0.46) ADRB3ADRB2MAPTADRB1
SCHEMBL4899801 0.88 SYK (0.40) ADRB3ADRB2MAPTADRB1
SCHEMBL4894762 0.88 ADRB3 (0.41) ADRB3ADRB2ADRB1ALDH1A1
SCHEMBL2198134 0.87 ADRB3 (0.41) ADRB3ADRB2PHGDHADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300290-A1 Novel Beta-Agonists, Process for Their Preparation and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 US claimed
US-20080300290-A1 Novel Beta-Agonists, Process for Their Preparation and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 US disclosed
US-20080300290-A1 Novel Beta-Agonists, Process for Their Preparation and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 US disclosed
US-20080300290-A1 Novel Beta-Agonists, Process for Their Preparation and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 US disclosed
WO-2007048840-A1 NOVEL BETA-AGONISTS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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 (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-20080300290-A1 Novel Beta-Agonists, Process for Their Preparation and Their Use as Medicaments ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB2 3/4885PHGDH 1668/4885

“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.