SCHEMBL6177463

SCHEMBL6177463

CS(=O)(=O)O/C=C1\N=C(Cc2ccccc2)OC1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.33
ALDH1A2 O94788 1/20 0.33
ALDH1B1 P30837 1/20 0.33
ALDH1A3 P47895 1/20 0.33
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTGS2 P35354 1/20 0.32
ELANE P08246 1/20 0.32
TEK Q02763 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
SCHEMBL6177652 0.83 LTA4H (0.35) SMN1; SMN2ALDH1A1USP2TEK
SCHEMBL6177655 0.83 LTA4H (0.35) SMN1; SMN2ALDH1A1USP2TEK
SCHEMBL6180626 0.82 USP2 (0.34) SMN1; SMN2ALDH1A1USP2ELANE
SCHEMBL6178031 0.81 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1USP2HSD17B10
SCHEMBL6178028 0.81 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1USP2HSD17B10
SCHEMBL6175600 0.79 USP2 (0.34) USP2LMNAELANE
SCHEMBL6175596 0.79 USP2 (0.34) USP2LMNAELANE
SCHEMBL6176914 0.78 ALDH1A1 (0.37) ALDH1A1USP2LMNA
SCHEMBL4003199 0.75 MMP9 (0.36) SMN1; SMN2ELANE
SCHEMBL4001548 0.75 MMP9 (0.36) SMN1; SMN2ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050176966-A1 Process for the preparation of pyrimidine derivative, intermediate therefor and process for the preparation thereof AJINOMOTO CO., INC. (JP) 2005-08-11 US disclosed
EP-1529778-A1 Production method of pyrimidine derivative, intermediate therefor Ajinomoto Co., Inc. (JP) 2005-05-11 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 (1 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-20050176966-A1 Process for the preparation of pyrimidine derivative, intermediate therefor and process for the preparation thereof DPYD, WEE1, DCXR SMN1; SMN2 4664/4885ALDH1A1 1449/4885ALDH1A2 1772/4885

“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.