SCHEMBL10045878

SCHEMBL10045878

NC(=S)COC(=O)c1ccccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.59
L3MBTL1 Q9Y468 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 2/20 0.55
HTT P42858 1/20 0.55
TSHR P16473 3/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
GAA P10253 1/20 0.49
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
USP2 O75604 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48

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
SCHEMBL11408488 0.86 TDP1 (0.62) TDP1L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL554491 0.80 TDP1 (0.66) TDP1L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL30114967 0.80 TDP1 (0.66) TDP1L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL11414456 0.79 LMNA (0.65) TDP1L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL1985523 0.79 KDM4E (0.50) TDP1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL1143123 0.79 TDP1 (0.62) TDP1L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL10937791 0.78 TDP1 (0.67) TDP1L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL30416074 0.77 TDP1 (0.85) TDP1L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL29413674 0.77 TDP1 (0.71) TDP1L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL6063013 0.77 TDP1 (0.85) TDP1L3MBTL1NPC1RAB9AALDH1A1

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 21 patents — showing the first 20. 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-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
EP-1883645-B1 DERIVATIVES OF 4-OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC (CA) 2011-06-29 EP disclosed
US-20110130368-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC. (CA) 2011-06-02 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-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-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 TDP1 4514/4885L3MBTL1 4459/4885NPC1 4769/4885
US-20080207564-A1 Derivaitves of 4-Or 5-Aminosalicylic Acid CBS, SI, TST TDP1 4495/4885L3MBTL1 4244/4885NPC1 4799/4885
US-20090233886-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC TDP1 4514/4885L3MBTL1 4459/4885NPC1 4769/4885
US-20110130368-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC TDP1 4514/4885L3MBTL1 4459/4885NPC1 4769/4885
US-20070197479-A1 Derivatives of 4- or 5-aminosalicylic acid CBS, SI, APC TDP1 4514/4885L3MBTL1 4459/4885NPC1 4769/4885

“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.