SCHEMBL4895290

SCHEMBL4895290

CC(C)(CCn1cnc2cc(C(=O)O)ncc21)NCC(OC(=O)C(F)(F)F)c1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
ADRB3 P13945 1/20 0.38
NR1I2 O75469 5/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KEAP1 Q14145 2/20 0.35
NFE2L2 Q16236 2/20 0.35
FABP4 P15090 1/20 0.34
IDH1 O75874 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
F2 P00734 1/20 0.33
CBLB Q13191 1/20 0.33

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
SCHEMBL4892535 0.94 ADRB3 (0.38) HPGDADRB3NR1I2OPRM1OPRD1
SCHEMBL4777051 0.91 ADRB3 (0.37) HPGDADRB3NR1I2OPRM1OPRD1
SCHEMBL4908161 0.90 NR1I2 (0.41) HPGDADRB3NR1I2OPRM1OPRD1
SCHEMBL4605628 0.90 ADRB3 (0.42) HPGDADRB3NR1I2OPRM1OPRD1
Trifluoroacetic Acid SCHEMBL4777048 0.89 ADRB3 (0.41) HPGDADRB3NR1I2ALDH1A1KEAP1
SCHEMBL4605863 0.89 NR1I2 (0.40) HPGDADRB3NR1I2OPRM1OPRD1
SCHEMBL4918960 0.88 ADRB3 (0.38) HPGDADRB3NR1I2OPRM1OPRD1
SCHEMBL4775536 0.88 ADRB3 (0.42) HPGDADRB3NR1I2OPRM1OPRD1
SCHEMBL4892553 0.88 ADRB3 (0.38) HPGDADRB3NR1I2OPRM1OPRD1
SCHEMBL4891889 0.88 ADRB3 (0.36) HPGDADRB3NR1I2OPRM1OPRD1

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 HPGD 1587/4885ADRB3 1/4885NR1I2 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.