SCHEMBL5873337

SCHEMBL5873337

COC(OS(C)(=O)=O)(OS(C)(=O)=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.39
KCNN4 O15554 1/20 0.38
NR3C2 P08235 3/20 0.37
MAPK1 P28482 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
KEAP1 Q14145 1/20 0.33
KMT2A Q03164 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
KIF11 P52732 1/20 0.32
PTPN1 P18031 1/20 0.32
HTR6 P50406 1/20 0.32
PDE4B Q07343 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL487231 0.78 MAPK1 (0.48) CES1KCNN4MAPK1CA1CA2
SCHEMBL8318529 0.75 NR3C2 (0.43) KCNN4NR3C2MAPK1CA1CA2
SCHEMBL8317668 0.74 CA1 (0.40) MAPK1CA1CA2CA9ALDH1A1
SCHEMBL6270358 0.73 MAPK1 (0.44) CES1KCNN4MAPK1ALDH1A1ALOX15
SCHEMBL7538122 0.72 VDR (0.43) MAPK1CA1CA2CA9ALDH1A1
SCHEMBL27290020 0.71 CES1 (0.41) CES1KCNN4MAPK1ALDH1A1ALOX15
SCHEMBL27684711 0.71 NR3C2 (0.40) CES1KCNN4NR3C2MAPK1CA1
SCHEMBL8318293 0.71 NR3C2 (0.38) KCNN4NR3C2MAPK1CA1CA2
SCHEMBL7056377 0.70 MAPK1 (0.41) CES1KCNN4MAPK1ALDH1A1ALOX15
SCHEMBL27559567 0.70 MAPK1 (0.41) CES1KCNN4MAPK1ALDH1A1ALOX15

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-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
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

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 CES1 1740/4885KCNN4 459/4885NR3C2 1117/4885
US-20040167358-A1 Method and reagents for N-alkylating ureides MGMT, ETV6, ALKBH3 CES1 2168/4885KCNN4 499/4885NR3C2 1836/4885

“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.