SCHEMBL4773343

SCHEMBL4773343

CC(C)(CCn1cnc2ccc(C(=O)O)nc21)NCC(O)c1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.44
HPGD P15428 1/20 0.38
ADRB2 P07550 5/20 0.38
ADRB1 P08588 3/20 0.38
NR1I2 O75469 1/20 0.37
MMP2 P08253 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35

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
SCHEMBL4889589 1.00 ADRB3 (0.44) ADRB3HPGDADRB2ADRB1NR1I2
SCHEMBL4772779 1.00 ADRB3 (0.44) ADRB3HPGDADRB2ADRB1NR1I2
Trifluoroacetic Acid SCHEMBL4778942 0.96 ADRB3 (0.41) ADRB3HPGDADRB2ADRB1NR1I2
SCHEMBL4897148 0.91 ADRB3 (0.43) ADRB3HPGDADRB2ADRB1
SCHEMBL4893736 0.91 ADRB3 (0.43) ADRB3HPGDADRB2ADRB1
SCHEMBL4897137 0.91 ADRB3 (0.43) ADRB3HPGDADRB2ADRB1
SCHEMBL4892557 0.90 ADRB3 (0.43) ADRB3HPGDADRB2ADRB1NR1I2
SCHEMBL4773347 0.89 ADRB3 (0.42) ADRB3HPGDADRB2ADRB1NR1I2
SCHEMBL4772787 0.89 ADRB3 (0.42) ADRB3HPGDADRB2ADRB1NR1I2
Trifluoroacetic Acid SCHEMBL4894121 0.88 ADRB3 (0.42) ADRB3HPGDADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-30 US disclosed
US-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-30 US disclosed
EP-1945304-A2 IMIDAZO-PYRIDINE CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-23 EP disclosed
WO-2007048843-A2 IMIDAZO-PYRIDINE CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS 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-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs ADRB3, ADRB2, ADRB1 ADRB3 1/4885HPGD 1587/4885ADRB2 2/4885

“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.