SCHEMBL10045909

SCHEMBL10045909

CC(C)(C)OC(=O)c1ccccc1OC(=O)Oc1ccc(C(N)=S)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.46
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PRSS1 P07477 2/20 0.39
ACR P10323 2/20 0.39
SLC6A3 Q01959 1/20 0.38
PTGS2 P35354 1/20 0.38
HPGD P15428 2/20 0.37
XBP1 P17861 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
PARP10 Q53GL7 1/20 0.37
PRTN3 P24158 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL1973304 0.84 HSD17B10 (0.47) ELANEMAPTNPSR1SLC6A3PTGS2
SCHEMBL1282947 0.83 HSD17B10 (0.50) ELANEMAPTNPSR1SLC6A3PTGS2
SCHEMBL10045876 0.82 KDM4E (0.53) MAPTPTGS2HPGDKDM4EHSD17B10
SCHEMBL10045912 0.81 MAPT (0.51) MAPTNPSR1PTGS2HPGDXBP1
SCHEMBL29574954 0.78 KDM4E (0.49) ELANEMAPTNPSR1SLC6A3PTGS2
SCHEMBL2885742 0.78 PTGS2 (0.60) ELANEMAPTNPSR1PRSS1ACR
SCHEMBL10045906 0.75 MAPT (0.40) ELANEMAPTNPSR1SLC6A3PTGS2
SCHEMBL10045893 0.75 HDAC3 (0.46) ELANEMAPTNPSR1SLC6A3PTGS2
SCHEMBL14714173 0.74 MAPT (0.46) MAPTNPSR1PRSS1ACRPTGS2
SCHEMBL15928866 0.74 PTGS2 (0.43) MAPTNPSR1PRSS1ACRPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114857-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2012-02-14 US disclosed
US-8114858-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2012-02-14 US disclosed
US-20110130368-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC. (CA) 2011-06-02 US disclosed
US-20110098257-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC. (CA) 2011-04-28 US disclosed
US-7910568-B2 Inflammatory bowel disease, irritable bowel syndrome, Crohn's disease, ulcerative colitis, gastrointestinal disorders; prevention/treatment of colon cancer; releases hydrogen sulfide ANTIBE THERAPEUTICS INC. (CA) 2011-03-22 US disclosed
US-7879827-B2 such as 5-amino-2-(2-Acetylamino-3-mercapto-propionyloxy)-benzoic acid, useful for the treatment of gastrointestinal disorders such as inflammatory bowel disease and irritable bowel syndrome, and for the prevention/treatment of colon cancer ANTIBE THERAPEUTICS INC. (CA) 2011-02-01 US disclosed
US-20090233886-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC. (CA) 2009-09-17 US disclosed
US-7498355-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2009-03-03 US disclosed
US-20080207564-A1 Derivaitves of 4-Or 5-Aminosalicylic Acid ANTIBE THERAPEUTICS INC. (CA) 2008-08-28 US disclosed
US-20070197479-A1 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2007-08-23 US disclosed
US-20070197479-A1 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2007-08-23 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 (5 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-20110098257-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC ELANE 3336/4885MAPT 3407/4885NPSR1 334/4885
US-20080207564-A1 Derivaitves of 4-Or 5-Aminosalicylic Acid CBS, SI, TST ELANE 3109/4885MAPT 2229/4885NPSR1 359/4885
US-20090233886-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC ELANE 3336/4885MAPT 3407/4885NPSR1 334/4885
US-20110130368-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC ELANE 3336/4885MAPT 3407/4885NPSR1 334/4885
US-20070197479-A1 Derivatives of 4- or 5-aminosalicylic acid CBS, SI, APC ELANE 3336/4885MAPT 3407/4885NPSR1 334/4885

“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.