SCHEMBL10045876

SCHEMBL10045876

NC(=S)c1ccc(OC(=O)Oc2ccccc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.53
HSD17B10 Q99714 6/20 0.53
HPGD P15428 6/20 0.53
ALDH1A1 P00352 5/20 0.47
ESR1 P03372 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HMGB1 P09429 1/20 0.47
TSHR P16473 1/20 0.47
GGT1 P19440 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
BLM P54132 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.46
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL360782 0.83 KDM4E (0.68) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL595947 0.82 MAPT (0.40) KDM4EHSD17B10HPGDALDH1A1PTGS2
SCHEMBL4783043 0.82 HPGD (0.36) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL10045909 0.82 ELANE (0.46) KDM4EHSD17B10HPGDALDH1A1PTGS2
SCHEMBL1721235 0.79 KDM4E (0.78) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL2885742 0.76 PTGS2 (0.60) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL14714173 0.75 MAPT (0.46) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL12845005 0.75 KDM4E (0.44) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL12446252 0.74 KMT2A (0.53) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL10045879 0.74 KDM4E (0.55) KDM4EHSD17B10HPGDALDH1A1ESR1

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-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
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 KDM4E 739/4885HSD17B10 512/4885HPGD 161/4885
US-20080207564-A1 Derivaitves of 4-Or 5-Aminosalicylic Acid CBS, SI, TST KDM4E 422/4885HSD17B10 496/4885HPGD 196/4885
US-20090233886-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC KDM4E 739/4885HSD17B10 512/4885HPGD 161/4885
US-20110130368-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC KDM4E 739/4885HSD17B10 512/4885HPGD 161/4885
US-20070197479-A1 Derivatives of 4- or 5-aminosalicylic acid CBS, SI, APC KDM4E 739/4885HSD17B10 512/4885HPGD 161/4885

“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.