SCHEMBL10045906

SCHEMBL10045906

CC(C)(C)OC(=O)c1ccccc1OC(=O)Oc1ccc(P2(=S)SP(=S)(c3ccc(O)cc3)S2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ESR1 P03372 2/20 0.35
ELANE P08246 5/20 0.35
LMNA P02545 2/20 0.35
PTGS2 P35354 1/20 0.34
ESR2 Q92731 1/20 0.34
HPGD P15428 3/20 0.33
XBP1 P17861 1/20 0.33
HSD17B10 Q99714 4/20 0.33
KDM4E B2RXH2 2/20 0.33
PRTN3 P24158 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC6A3 Q01959 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL10045867 0.84 KDM4E (0.46) MAPTKMT2AMEN1ESR1LMNA
SCHEMBL10045916 0.84 MAPT (0.48) MAPTNPSR1KMT2AMEN1ESR1
SCHEMBL1973304 0.79 HSD17B10 (0.47) MAPTNPSR1KMT2AESR1ELANE
SCHEMBL1282947 0.77 HSD17B10 (0.50) MAPTNPSR1KMT2AESR1ELANE
SCHEMBL10045909 0.75 ELANE (0.46) MAPTNPSR1KMT2AELANELMNA
SCHEMBL10045914 0.74 HPGD (0.56) MAPTNPSR1KMT2AMEN1ESR1
SCHEMBL13476713 0.73 MAPT (0.58) MAPTNPSR1KMT2AMEN1ESR1
SCHEMBL29574954 0.73 KDM4E (0.49) MAPTNPSR1KMT2AESR1ELANE
SCHEMBL7897674 0.72 SLC6A3 (0.55) MAPTNPSR1KMT2AESR1ELANE
SCHEMBL10045893 0.72 HDAC3 (0.46) MAPTNPSR1KMT2AMEN1ESR1

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 MAPT 3407/4885NPSR1 334/4885KMT2A 2183/4885
US-20080207564-A1 Derivaitves of 4-Or 5-Aminosalicylic Acid CBS, SI, TST MAPT 2229/4885NPSR1 359/4885KMT2A 1082/4885
US-20090233886-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC MAPT 3407/4885NPSR1 334/4885KMT2A 2183/4885
US-20110130368-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC MAPT 3407/4885NPSR1 334/4885KMT2A 2183/4885
US-20070197479-A1 Derivatives of 4- or 5-aminosalicylic acid CBS, SI, APC MAPT 3407/4885NPSR1 334/4885KMT2A 2183/4885

“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.