SCHEMBL4915375

SCHEMBL4915375

CC(C)(CCn1cnc2ccc(C(=O)O)cc21)NCC(O)c1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 6/20 0.43
HPGD P15428 1/20 0.40
NR1I2 O75469 3/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HSD17B10 Q99714 1/20 0.38
HTR6 P50406 1/20 0.38
PFKFB3 Q16875 1/20 0.37
CYP24A1 Q07973 1/20 0.37
ADRB2 P07550 2/20 0.37
POLB P06746 1/20 0.37
ADRB1 P08588 1/20 0.37
EGFR P00533 1/20 0.36
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL4915362 1.00 ADRB3 (0.43) ADRB3HPGDNR1I2KEAP1NFE2L2
Trifluoroacetic Acid SCHEMBL4645770 0.96 ADRB3 (0.42) ADRB3HPGDNR1I2KEAP1NFE2L2
SCHEMBL4914684 0.94 NR1I2 (0.44) ADRB3HPGDNR1I2KEAP1NFE2L2
SCHEMBL1379764 0.94 NR1I2 (0.44) ADRB3HPGDNR1I2KEAP1NFE2L2
SCHEMBL4913365 0.91 ADRB3 (0.43) ADRB3HPGDADRB2ADRB1
SCHEMBL5468010 0.91 ADRB3 (0.43) ADRB3HPGDADRB2ADRB1
SCHEMBL4647480 0.91 ADRB3 (0.45) ADRB3HPGDNR1I2HTR6ADRB2
Trifluoroacetic Acid SCHEMBL4644337 0.90 ADRB3 (0.42) ADRB3HPGDNR1I2KEAP1NFE2L2
SCHEMBL4605935 0.90 ADRB3 (0.46) ADRB3HPGDNR1I2ADRB2ADRB1
SCHEMBL4918967 0.90 ADRB3 (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US claimed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 US claimed
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 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 (2 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-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 ADRB3 2/4885HPGD 1119/4885NR1I2 307/4885
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance ADRB3, ADRB1, ADRA1B ADRB3 1/4885HPGD 2957/4885NR1I2 103/4885

“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.