SCHEMBL4908243

SCHEMBL4908243

COc1cc2c(cc1C(=O)O)ncn2CCC(C)(C)NCC(O)c1ccccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
RCE1 Q9Y256 1/20 0.38
HPGD P15428 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 2/20 0.37
PKM P14618 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FABP4 P15090 1/20 0.36
BRD1 O95696 3/20 0.36
BRPF1 P55201 3/20 0.36
BRPF3 Q9ULD4 2/20 0.36
WDR5 P61964 1/20 0.35
NR1I2 O75469 1/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4916132 0.90 HPGD (0.36) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4912575 0.90 NR1I2 (0.37) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL4914827 0.88 NR1I2 (0.37) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL4641932 0.87 ADRB3 (0.42) ALDH1A1HPGDMEN1KMT2ATSHR
SCHEMBL4642400 0.87 ADRB3 (0.42) ALDH1A1HPGDMEN1KMT2ATSHR
SCHEMBL4916291 0.87 ADRB3 (0.42) ALDH1A1HPGDMEN1KMT2ATSHR
SCHEMBL4915383 0.86 FGFR1 (0.36) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL2201475 0.86 NR1I2 (0.40) ALDH1A1KDM4EHPGDKMT2ATSHR
SCHEMBL4896292 0.85 HPGD (0.37) ALDH1A1HPGDMEN1KMT2ANR1I2
SCHEMBL4894151 0.85 HPGD (0.35) ALDH1A1HPGDMEN1KMT2ANR1I2

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 ALDH1A1 717/4885KDM4E 4614/4885RCE1 3265/4885
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 ALDH1A1 573/4885KDM4E 4097/4885RCE1 4598/4885

“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.