SCHEMBL4891889

SCHEMBL4891889

CC(C)(CCn1cnc2nc(C(=O)O)ccc21)NCC(OC(=O)C(F)(F)F)c1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 2/20 0.36
HPGD P15428 2/20 0.34
NR1I2 O75469 1/20 0.34
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
F2 P00734 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
CBLB Q13191 3/20 0.33
FABP4 P15090 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR6 P50406 1/20 0.32
PTGES O14684 1/20 0.32
MMP2 P08253 1/20 0.31
IDH1 O75874 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL4892190 0.93 NPSR1 (0.38) ADRB3HPGDOPRM1OPRD1CBLB
SCHEMBL4830639 0.91 ADRB3 (0.36) ADRB3HPGDNR1I2KEAP1NFE2L2
SCHEMBL4892553 0.89 ADRB3 (0.38) ADRB3HPGDNR1I2KEAP1NFE2L2
Trifluoroacetic Acid SCHEMBL4830634 0.89 ADRB3 (0.40) ADRB3HPGDNR1I2KEAP1NFE2L2
SCHEMBL4837960 0.88 ADRB3 (0.42) ADRB3HPGDNR1I2KEAP1NFE2L2
SCHEMBL4828479 0.88 ADRB3 (0.35) ADRB3HPGDNR1I2F2OPRM1
SCHEMBL4895290 0.88 HPGD (0.38) ADRB3HPGDNR1I2KEAP1NFE2L2
SCHEMBL4892535 0.88 ADRB3 (0.38) ADRB3HPGDNR1I2KEAP1NFE2L2
SCHEMBL4908161 0.87 NR1I2 (0.41) ADRB3HPGDNR1I2KEAP1NFE2L2
SCHEMBL4918863 0.87 KEAP1 (0.38) ADRB3HPGDNR1I2KEAP1NFE2L2

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-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-30 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-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs ADRB3, ADRB2, ADRB1 ADRB3 1/4885HPGD 1587/4885NR1I2 357/4885

“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.