SCHEMBL4903880

SCHEMBL4903880

CC(C)(CCn1cnc(-c2cccc(OCC(=O)O)c2)c1)NCC(O)c1cccc(NS(=O)(=O)c2ccccc2)c1.CCOC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.43
ADRA1A P35348 5/20 0.35
F2 P00734 1/20 0.35
FABP1 P07148 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34

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 SCHEMBL4902522 0.94 ADRB3 (0.44) ADRB3ADRA1AF2FABP1ADRB2
SCHEMBL4617849 0.93 ADRB3 (0.46) ADRB3F2FABP1ADRB2ADRB1
SCHEMBL4899814 0.91 ADRB3 (0.44) ADRB3ALDH1A1NPSR1ADRB2ADRB1
Trifluoroacetic Acid SCHEMBL4898036 0.88 ADRB3 (0.45) ADRB3ADRA1AADRB2ADRB1
SCHEMBL4900556 0.87 ADRB3 (0.46) ADRB3
SCHEMBL2201260 0.84 ADRB3 (0.44) ADRB3ALDH1A1ADRB2ADRB1
SCHEMBL2199090 0.84 MAPT (0.44) ADRB3ALDH1A1NPSR1ADRB2ADRB1
Trifluoroacetic Acid SCHEMBL4900631 0.83 ADRB3 (0.39) ADRB3ALDH1A1ADRB2ADRB1
SCHEMBL4899801 0.83 SYK (0.40) ADRB3ADRB2ADRB1
Trifluoroacetic Acid SCHEMBL4616140 0.83 ADRB3 (0.40) 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 1 patent. 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 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 2/4885ADRA1A 5/4885F2 3699/4885

“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.