SCHEMBL2200968

SCHEMBL2200968

COC(=O)c1cn(CCC(C)(C)NCC(O)c2ccccc2NS(=O)(=O)c2ccccc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.38
ADAMTS5 Q9UNA0 2/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
CRHBP P24387 2/20 0.36
HTT P42858 2/20 0.36
CRHR2 Q13324 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOD2 Q9HC29 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.34
ALOX15 P16050 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
SCHEMBL2199401 0.92 MMP2 (0.37) SLC40A1KMT2AMEN1CRHBPHTT
SCHEMBL27716306 0.87 ADRB3 (0.39) ADAMTS5KMT2AMEN1LMNAHPGD
SCHEMBL2200961 0.85 ADRB3 (0.44) ADRB2ADRB1ADRB3
SCHEMBL27716309 0.84 ADAMTS5 (0.37) ADAMTS5KMT2AMEN1KDM4EALDH1A1
SCHEMBL2199093 0.83 ALDH1A1 (0.42) KMT2AMEN1KDM4ELMNAHTT
SCHEMBL2198136 0.83 TRPV1 (0.36) KMT2AMEN1CRHBPCRHR2ADRB2
SCHEMBL4894389 0.83 SLC40A1 (0.37) SLC40A1KMT2AMEN1KDM4ELMNA
SCHEMBL2199835 0.82 GLO1 (0.35) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL2196555 0.81 TRPV1 (0.38) KMT2AMEN1CRHBPCRHR2ADRB2
SCHEMBL2200315 0.81 KEAP1 (0.34) SLC40A1KMT2AMEN1KDM4ELMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977334-B2 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity modulator, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-12 US claimed
US-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions TRIESELMANN THOMAS 2008-09-25 US claimed
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 US claimed
US-7977334-B2 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity modulator, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-12 US disclosed
US-20090221589-A1 Use of aminoalcohol derivatives for the treatment of overactive bladder TRIESELMANN THOMAS 2009-09-03 US disclosed
US-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions TRIESELMANN THOMAS 2008-09-25 US disclosed
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 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 (3 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-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 SLC40A1 3972/4885ADAMTS5 2562/4885KMT2A 4664/4885
US-20090221589-A1 Use of aminoalcohol derivatives for the treatment of overactive bladder ADRB2, ADRB1, ADRB3 SLC40A1 2153/4885ADAMTS5 3676/4885KMT2A 3545/4885
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 SLC40A1 3972/4885ADAMTS5 2562/4885KMT2A 4664/4885

“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.