SCHEMBL2199835

SCHEMBL2199835

CC(C)(CCn1cnc(-c2ccc(C(=O)OCc3ccccc3)cc2)c1)NCC(O)c1ccccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 5/20 0.35
ADRB2 P07550 3/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
MAPT P10636 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
JMJD6 Q6NYC1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL2199093 0.93 ALDH1A1 (0.42) PKMALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL2198136 0.90 TRPV1 (0.36) ADRB2ADRB3MAPTTRPV1MEN1
SCHEMBL2196555 0.88 TRPV1 (0.38) ADRB2ADRB3TRPV1MEN1KMT2A
SCHEMBL2199827 0.87 ADRB3 (0.40) GLO1ADRB2ADRB1ADRB3MAPT
SCHEMBL2202258 0.85 MAPT (0.40) ALDH1A1SMN1; SMN2TP53ADRB3MAPT
SCHEMBL2202156 0.83 KMT2A (0.38) ALDH1A1TSHRSMN1; SMN2ADRB3MAPT
SCHEMBL2200968 0.82 SLC40A1 (0.38) ALDH1A1TSHRSMN1; SMN2TP53ADRB2
SCHEMBL2199401 0.81 MMP2 (0.37) ALDH1A1TSHRADRB2ADRB1TRPV1
SCHEMBL5354273 0.80 ADRB2 (0.44) ADRB2ADRB3
SCHEMBL5347604 0.80 ADRB2 (0.44) ADRB2ADRB3

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 GLO1 1133/4885PKM 1463/4885ALDH1A1 674/4885
US-20090221589-A1 Use of aminoalcohol derivatives for the treatment of overactive bladder ADRB2, ADRB1, ADRB3 GLO1 991/4885PKM 1805/4885ALDH1A1 172/4885
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 GLO1 1133/4885PKM 1463/4885ALDH1A1 674/4885

“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.