SCHEMBL2199401

SCHEMBL2199401

CC(C)(CCn1cnc(C(=O)O)c1)NCC(O)c1ccccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
ADRB2 P07550 4/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
HTT P42858 2/20 0.34
TSHR P16473 1/20 0.33
METAP2 P50579 2/20 0.33
KCNA5 P22460 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
UQCRB P14927 1/20 0.33
HSD17B2 P37059 1/20 0.33
ADRB1 P08588 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
CARM1 Q86X55 1/20 0.32

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
SCHEMBL2200968 0.92 SLC40A1 (0.38) MMP2KMT2AMEN1CRHBPCRHR2
SCHEMBL2198136 0.87 TRPV1 (0.36) KMT2AMEN1CRHBPCRHR2ADRB2
SCHEMBL27716308 0.86 ADRB3 (0.40) KMT2AADRB2ADRB1
SCHEMBL2199396 0.84 ADRB3 (0.43) ADRB2ADRB1
SCHEMBL2202258 0.83 MAPT (0.40) KMT2AMEN1CRHBPCRHR2ALDH1A1
SCHEMBL2200315 0.83 KEAP1 (0.34) KMT2AMEN1CRHBPCRHR2ADRB2
SCHEMBL2196555 0.83 TRPV1 (0.38) KMT2AMEN1CRHBPCRHR2ADRB2
SCHEMBL4896292 0.83 HPGD (0.37) MMP2KMT2AMEN1CRHBPCRHR2
SCHEMBL27716310 0.83 ADRB2 (0.32) ADRB2ALDH1A1ADRB1
SCHEMBL4887240 0.82 MMP2 (0.40) MMP2KMT2AMEN1CRHBPCRHR2

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 MMP2 4039/4885KMT2A 4664/4885MEN1 1897/4885
US-20090221589-A1 Use of aminoalcohol derivatives for the treatment of overactive bladder ADRB2, ADRB1, ADRB3 MMP2 2444/4885KMT2A 3545/4885MEN1 3318/4885
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 MMP2 4039/4885KMT2A 4664/4885MEN1 1897/4885

“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.