SCHEMBL10073451

SCHEMBL10073451

COC(=O)c1ccc(P2(=S)SP(=S)(c3ccc(OC)cc3)S2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.66
CA2 P00918 5/20 0.66
MAPT P10636 5/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 3/20 0.49
NPC1 O15118 1/20 0.49
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
PLK1 P53350 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
STS P08842 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 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
SCHEMBL10073449 0.86 MAPT (0.47) CA1CA2MAPTKMT2AMEN1
SCHEMBL7961 0.83 CA1 (0.50) CA1CA2MAPTKMT2AKDM4E
SCHEMBL12999906 0.83 CA1 (0.50) CA1CA2MAPTKMT2AKDM4E
Methyl 4-Methoxybenzoate SCHEMBL231243 0.81 CA1 (1.00) CA1CA2MAPTKMT2AKDM4E
Methyl 4-Methoxybenzoate SCHEMBL27405603 0.79 CA1 (0.95) CA1CA2MAPTKMT2AKDM4E
SCHEMBL10077999 0.78 ESR2 (0.53) CA1CA2MAPTKMT2AKDM4E
Methyl 4-Methoxybenzoate SCHEMBL28248974 0.77 CA1 (0.91) CA1CA2MAPTKMT2AKDM4E
SCHEMBL78695 0.76 ACHE (0.58) CA1CA2MAPTKMT2ALMNA
SCHEMBL2273711 0.76 CA1 (0.88) CA1CA2MAPTKMT2AKDM4E
SCHEMBL2188276 0.76 CA1 (0.88) CA1CA2MAPTKMT2AKDM4E

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 10 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 CA1 934/4885CA2 1470/4885MAPT 3407/4885
US-20080207564-A1 Derivaitves of 4-Or 5-Aminosalicylic Acid CBS, SI, TST CA1 1013/4885CA2 1556/4885MAPT 2229/4885
US-20090233886-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC CA1 934/4885CA2 1470/4885MAPT 3407/4885
US-20110130368-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC CA1 934/4885CA2 1470/4885MAPT 3407/4885

“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.