SCHEMBL2199733

SCHEMBL2199733

CC(=O)Nc1ccc(OB(O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
TDP1 Q9NUW8 2/20 0.58
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 5/20 0.53
MAPT P10636 3/20 0.53
CA12 O43570 1/20 0.53
BRD4 O60885 1/20 0.53
NR1I2 O75469 1/20 0.53
MB P02144 1/20 0.53
CYP1A1 P04798 1/20 0.53
CA3 P07451 1/20 0.53

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
SCHEMBL14808444 0.82 KMT2A (1.00) MEN1KMT2ATDP1LMNACYP1A2
SCHEMBL29056860 0.81 ALDH1A1 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6516221 0.79 KMT2A (0.73) MEN1KMT2ATDP1LMNACYP1A2
SCHEMBL1736253 0.79 MTNR1A (0.55) MEN1KMT2ATDP1CYP1A2SMN1; SMN2
SCHEMBL861674 0.78 SMN1; SMN2 (0.84) MEN1KMT2ATDP1SMN1; SMN2HTT
SCHEMBL5582643 0.78 EPHX2 (0.51) MEN1KMT2ACYP1A2L3MBTL1CA1
SCHEMBL171415 0.78 SMN1; SMN2 (0.73) MEN1KMT2ATDP1LMNACYP1A2
SCHEMBL27267778 0.78 SMN1; SMN2 (0.73) MEN1KMT2ATDP1LMNACYP1A2
SCHEMBL27828678 0.78 CYP17A1 (0.48) MEN1KMT2ACYP1A2SMN1; SMN2L3MBTL1
SCHEMBL28226150 0.77 TGM2 (0.65) KMT2ALMNASMN1; SMN2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103110635-A Histamine H3 receptor antagonist NOVO NORDISK AS 2013-05-22 CN disclosed
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
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-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions TRIESELMANN THOMAS 2008-09-25 US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 US disclosed
CN-101218206-A Histamine H3 receptor antagonists NOVO NORDISK AS (DK) 2008-07-09 CN disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 EP 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-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof PPARA, PPARD, PPARG MEN1 4667/4885KMT2A 2672/4885TDP1 4316/4885
US-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 MEN1 1897/4885KMT2A 4664/4885TDP1 1157/4885
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 MEN1 1897/4885KMT2A 4664/4885TDP1 1157/4885

“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.