SCHEMBL4894762

SCHEMBL4894762

CC(C)(CCn1cnc(-c2ccc(CCC(=O)O)cc2)c1)NCC(O)c1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.41
ADRB2 P07550 5/20 0.39
ADRB1 P08588 3/20 0.39
LIMK2 P53671 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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 SCHEMBL4619181 0.97 ADRB3 (0.40) ADRB3ADRB2ADRB1LIMK2
SCHEMBL4899119 0.94 ADRB3 (0.42) ADRB3ADRB2ADRB1ALDH1A1
SCHEMBL4900957 0.93 ADRB3 (0.40) ADRB3ADRB2ADRB1
Trifluoroacetic Acid SCHEMBL4616140 0.91 ADRB3 (0.40) ADRB3ADRB2ADRB1
SCHEMBL2201260 0.91 ADRB3 (0.44) ADRB3ADRB2ADRB1ALDH1A1
Trifluoroacetic Acid SCHEMBL4899089 0.91 ADRB3 (0.40) ADRB3ADRB2ADRB1
SCHEMBL2198134 0.90 ADRB3 (0.41) ADRB3ADRB2ADRB1POLB
SCHEMBL2201023 0.90 ADRB3 (0.41) ADRB3ADRB2ADRB1POLB
SCHEMBL2198132 0.90 ADRB3 (0.41) ADRB3ADRB2ADRB1POLB
SCHEMBL2199633 0.90 ADRB3 (0.42) 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 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 3/4885ADRB1 1/4885

“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.