SCHEMBL10045845

SCHEMBL10045845

CC(=O)NC(CCC(C)=S)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
THRB P10828 1/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
PTGS2 P35354 1/20 0.53
THPO P40225 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
ALDH1A1 P00352 2/20 0.52
FOLH1 Q04609 5/20 0.48
NAALAD2 Q9Y3Q0 2/20 0.48
RIMKLA Q8IXN7 1/20 0.48
GNPAT O15228 1/20 0.44
GAA P10253 1/20 0.41
NOD1 Q9Y239 1/20 0.41

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
Acetylglutamic Acid SCHEMBL716411 0.83 FOLH1 (0.69) SMN1; SMN2MAPTKDM4ETHRBALOX15
Acetylglutamic Acid SCHEMBL82128 0.83 FOLH1 (0.69) SMN1; SMN2MAPTKDM4ETHRBALOX15
Aceglumate SCHEMBL198970 0.83 FOLH1 (0.69) SMN1; SMN2MAPTKDM4ETHRBALOX15
Acetylglutamic Acid SCHEMBL2512801 0.83 FOLH1 (0.69) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL11885251 0.83 MAPT (0.57) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL14557466 0.83 MAPT (0.57) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL17715158 0.82 MAPT (0.52) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL4577285 0.82 MAPT (0.52) SMN1; SMN2MAPTKDM4ETHRBALOX15
Acetylglutamic Acid SCHEMBL11403044 0.82 FOLH1 (0.67) SMN1; SMN2MAPTKDM4ETHRBALOX15
Aceglumate SCHEMBL11403040 0.82 FOLH1 (0.67) SMN1; SMN2MAPTKDM4ETHRBALOX15

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 5 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

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

For each of this compound's patents that has machine-readable text (2 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 SMN1; SMN2 4347/4885MAPT 3407/4885KDM4E 739/4885
US-20110130368-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC SMN1; SMN2 4347/4885MAPT 3407/4885KDM4E 739/4885

“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.