SCHEMBL4908078

SCHEMBL4908078

CC(C)(CCn1cnc2cc(C(=O)NN)ccc21)NCC(O)c1ccccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.39
NR1I2 O75469 4/20 0.39
HPGD P15428 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 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
SCHEMBL2201475 0.93 NR1I2 (0.40) PPARGNR1I2HPGDKMT2AALDH1A1
SCHEMBL2199552 0.89 TSHR (0.41) PPARGNR1I2HPGDKMT2AALDH1A1
SCHEMBL4915383 0.87 FGFR1 (0.36) NR1I2HPGDKMT2AMEN1ALDH1A1
SCHEMBL4908069 0.87 NR1I2 (0.43) PPARGNR1I2HPGDKMT2AALDH1A1
SCHEMBL4917492 0.87 NR1I2 (0.43) PPARGNR1I2HPGDKMT2AALDH1A1
SCHEMBL4896292 0.85 HPGD (0.37) NR1I2HPGDKMT2AMEN1ALDH1A1
SCHEMBL4916132 0.84 HPGD (0.36) NR1I2HPGDKMT2AMEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL4910752 0.84 ADRB3 (0.41) PPARGNR1I2HPGDKMT2AALDH1A1
SCHEMBL4912575 0.83 NR1I2 (0.37) NR1I2HPGDKMT2AMEN1ALDH1A1
SCHEMBL4914827 0.83 NR1I2 (0.37) NR1I2HPGDKMT2AMEN1ALDH1A1

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 PPARG 450/4885NR1I2 307/4885HPGD 1119/4885
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 PPARG 45/4885NR1I2 103/4885HPGD 2957/4885

“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.