SCHEMBL30879822

SCHEMBL30879822

[2H]NC(=O)c1nc([S+](C)[O-])[nH]c1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.38
PTGS2 P35354 4/20 0.34
PTGS1 P23219 3/20 0.34
MAPK14 Q16539 7/20 0.34
GSK3B P49841 1/20 0.34
ALOX5 P09917 5/20 0.33
CHEK2 O96017 1/20 0.33
CHRNA7 P36544 1/20 0.32
MAPK11 Q15759 4/20 0.32
MAPK13 O15264 3/20 0.32
MAPK12 P53778 3/20 0.32
GCGR P47871 1/20 0.32
TGFBR1 P36897 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CSNK1D P48730 1/20 0.31
CSNK1E P49674 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CSNK1A1L Q8N752 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
SCHEMBL18161743 0.86 MAPK14 (0.38) CDC7PTGS2PTGS1MAPK14GSK3B
SCHEMBL14692542 0.84 MAPK14 (0.39) CDC7PTGS2PTGS1MAPK14ALOX5
SCHEMBL15947009 0.82 MAPK14 (0.45) MAPK14ALOX5MAPK11MAPK13MAPK12
SCHEMBL30879817 0.78 MAPK14 (0.51) PTGS2PTGS1MAPK14GSK3BMAPK11
SCHEMBL30879827 0.76 PTGS2 (0.54) CDC7PTGS2PTGS1MAPK14ALOX5
SCHEMBL30879810 0.72 PTGS2 (0.36) PTGS2PTGS1ALDH1A1SMN1; SMN2
SCHEMBL30879814 0.72 PTGS2 (0.34) PTGS2PTGS1MAPK14ALOX5ALDH1A1
SCHEMBL20376337 0.66 PTGS2 (0.58) CDC7PTGS2PTGS1MAPK14GSK3B
SCHEMBL3120716 0.63 MAPK13 (0.57) CDC7PTGS2MAPK14ALOX5CHEK2
SCHEMBL22947017 0.63 MAPK14 (0.63) MAPK14GSK3BMAPK11MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240139194-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2024-05-02 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 (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-20240139194-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 CDC7 264/4885PTGS2 3631/4885PTGS1 4293/4885

“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.