SCHEMBL10072709

SCHEMBL10072709

CNC(=O)NC(CCC(N)=S)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.52
NAALAD2 Q9Y3Q0 7/20 0.52
RIMKLA Q8IXN7 1/20 0.52
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
NOD1 Q9Y239 1/20 0.37

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
SCHEMBL12601703 0.82 KMT2A (0.40) FOLH1NAALAD2RIMKLAKMT2AGAA
SCHEMBL13753737 0.82 FOLH1 (0.77) FOLH1NAALAD2RIMKLA
SCHEMBL24455554 0.82 FOLH1 (0.77) FOLH1NAALAD2RIMKLA
SCHEMBL12779903 0.79 CTSK (0.34) FOLH1NAALAD2RIMKLAKMT2ACA1
SCHEMBL12601770 0.78 CTSK (0.33)
SCHEMBL15601969 0.76 FOLH1 (0.50) FOLH1NAALAD2RIMKLAKMT2A
SCHEMBL17369687 0.75 KMT2A (0.38) FOLH1NAALAD2RIMKLAKMT2AGAA
SCHEMBL28525595 0.74 KMT2A (0.40) FOLH1NAALAD2RIMKLAKMT2AGAA
SCHEMBL20381105 0.74 KMT2A (0.37) FOLH1NAALAD2RIMKLAKMT2AGAA
SCHEMBL22571854 0.74 FOLH1 (0.68) FOLH1NAALAD2RIMKLACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114858-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2012-02-14 US disclosed
US-8114857-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-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-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-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-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-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 FOLH1 3249/4885NAALAD2 248/4885RIMKLA 431/4885
US-20080207564-A1 Derivaitves of 4-Or 5-Aminosalicylic Acid CBS, SI, TST FOLH1 2999/4885NAALAD2 202/4885RIMKLA 535/4885
US-20090233886-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC FOLH1 3249/4885NAALAD2 248/4885RIMKLA 431/4885
US-20110130368-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC FOLH1 3249/4885NAALAD2 248/4885RIMKLA 431/4885
US-20070197479-A1 Derivatives of 4- or 5-aminosalicylic acid CBS, SI, APC FOLH1 3249/4885NAALAD2 248/4885RIMKLA 431/4885

“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.