SCHEMBL2198134

SCHEMBL2198134

CC(C)(CCn1cnc(-c2ccc(C(=O)O)cc2)c1)NCC(O)c1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
POLB P06746 1/20 0.39
ADRB2 P07550 3/20 0.38
EGFR P00533 1/20 0.38
FGFR1 P11362 1/20 0.38
KDR P35968 1/20 0.38
PFKFB3 Q16875 1/20 0.37
CYP24A1 Q07973 1/20 0.37
ADRB1 P08588 1/20 0.37
PHGDH O43175 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
SCHEMBL2198132 1.00 ADRB3 (0.41) ADRB3KEAP1NFE2L2POLBADRB2
SCHEMBL2201023 1.00 ADRB3 (0.41) ADRB3KEAP1NFE2L2POLBADRB2
SCHEMBL2201260 0.94 ADRB3 (0.44) ADRB3ADRB2ADRB1
SCHEMBL2196551 0.93 ADRB3 (0.41) ADRB3ADRB2EGFRFGFR1KDR
SCHEMBL2199633 0.92 ADRB3 (0.42) ADRB3ADRB2ADRB1
SCHEMBL2199090 0.92 MAPT (0.44) ADRB3ADRB2ADRB1
SCHEMBL2198510 0.92 ADRB3 (0.43) ADRB3ADRB2ADRB1
SCHEMBL1380662 0.92 ADRB3 (0.43) ADRB3ADRB2ADRB1
SCHEMBL2197640 0.92 ADRB3 (0.43) ADRB3ADRB2ADRB1
SCHEMBL1380339 0.92 ADRB3 (0.42) ADRB3ADRB2ADRB1

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 ADRB3 2/4885KEAP1 2946/4885NFE2L2 4082/4885
US-20090221589-A1 Use of aminoalcohol derivatives for the treatment of overactive bladder ADRB2, ADRB1, ADRB3 ADRB3 3/4885KEAP1 2858/4885NFE2L2 1966/4885
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 ADRB3 2/4885KEAP1 2946/4885NFE2L2 4082/4885

“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.