SCHEMBL5873338

SCHEMBL5873338

COCC(OS(C)(=O)=O)OS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL1205704 0.79 USP2 (0.45) USP2TSHRALDH1A1KDM4ELMNA
SCHEMBL6496032 0.78 USP2 (0.39) USP2TSHRALDH1A1KDM4ELMNA
SCHEMBL3585566 0.77 ALDH1A1 (0.48) USP2TSHRALDH1A1KDM4ELMNA
SCHEMBL3586435 0.77 ALDH1A1 (0.48) USP2TSHRALDH1A1KDM4ELMNA
SCHEMBL711729 0.77 ALDH1A1 (0.48) USP2TSHRALDH1A1KDM4ELMNA
SCHEMBL21796461 0.73 ALDH1A1 (0.34) TSHRALDH1A1
SCHEMBL17183874 0.70 ALDH1A1 (0.46) USP2TSHRALDH1A1KDM4ELMNA
SCHEMBL546080 0.70 USP2 (0.36) USP2TSHRALDH1A1KDM4ELMNA
SCHEMBL3825698 0.68 ALDH1A1 (0.43) USP2TSHRALDH1A1KDM4ELMNA
SCHEMBL6649846 0.67 ALDH1A1 (0.37) USP2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38934-E1 Method and reagents for N-alkylating ureides TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-01-10 US claimed
US-20040167358-A1 Method and reagents for N-alkylating ureides GUTMAN DANIELA (IL) 2004-08-26 US claimed
EP-1027339-B1 METHOD AND REAGENTS FOR N-ALKYLATING UREIDES TARO PHARMA IND (IL) 2004-01-02 EP claimed
US-20030018080-A1 N-methoxymethyl-5,5-diphenylbarbituric acid TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-01-23 US claimed
CN-1273581-A Process and reagent for N-alkylation of ureides TARO PHARMA IND (IL) 2000-11-15 CN claimed
US-6093820-A REACTING AN IMIDE WITH A (SUBSTITUTED)ALKOXYALKYLSULFONIC ACID ESTER TO FORM A N-ALKOXYALKYL IMIDE SUCH AS METHOXYMETHYL ETHOSUXIMIDE; ADMINISTERING AS ANTICONVULSANT, ANTIANXIETY AGENT AND MUSCLE RELAXANT TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2000-07-25 US claimed
US-RE38934-E1 Method and reagents for N-alkylating ureides TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-01-10 US disclosed
US-6906079-B2 Method and reagents for N-alkylating ureides TARO PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2005-06-14 US disclosed
EP-1027339-B1 METHOD AND REAGENTS FOR N-ALKYLATING UREIDES TARO PHARMA IND (IL) 2004-01-02 EP disclosed
US-6664262-B2 N-methoxymethyl-5,5-diphenylbarbituric acid TARO PHARMACEUTICALS INDUSTRIES LTD. (IL) 2003-12-16 US disclosed
EP-1342718-A1 Method and reagents for n-alkylating ureides TARO PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2003-09-10 EP disclosed
US-6093820-A REACTING AN IMIDE WITH A (SUBSTITUTED)ALKOXYALKYLSULFONIC ACID ESTER TO FORM A N-ALKOXYALKYL IMIDE SUCH AS METHOXYMETHYL ETHOSUXIMIDE; ADMINISTERING AS ANTICONVULSANT, ANTIANXIETY AGENT AND MUSCLE RELAXANT TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2000-07-25 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-20030018080-A1 N-methoxymethyl-5,5-diphenylbarbituric acid MGMT, ALKBH3, ALKBH5 USP2 1135/4885TSHR 3284/4885ALDH1A1 406/4885
US-20040167358-A1 Method and reagents for N-alkylating ureides MGMT, ETV6, ALKBH3 USP2 539/4885TSHR 3045/4885ALDH1A1 839/4885

“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.