SCHEMBL3522955

SCHEMBL3522955

CC(C)(O)CC(=O)n1c(=O)n(S(C)(=O)=O)c2ccc(Cn3cnc(OCc4ccc(F)cc4F)c(Cl)c3=O)cc21

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.39
MAPK11 Q15759 2/20 0.39
ACLY P53396 1/20 0.35
MAPKAPK2 P49137 1/20 0.33
PTGER1 P34995 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3518520 0.97 MAPK14 (0.39) MAPK14MAPK11ACLYMAPKAPK2PTGER1
SCHEMBL3525407 0.93 MAPK14 (0.42) MAPK14MAPK11MAPKAPK2PTGER1KDM4E
SCHEMBL3522183 0.91 MAPK14 (0.40) MAPK14MAPK11ACLYMAPKAPK2KDM4E
SCHEMBL3518626 0.91 MAPK14 (0.43) MAPK14MAPK11KDM4E
SCHEMBL3520157 0.91 MAPK14 (0.41) MAPK14MAPK11MAPKAPK2PTGER1KDM4E
SCHEMBL3526558 0.90 MAPK14 (0.42) MAPK14MAPK11KDM4E
SCHEMBL3522788 0.90 MAPK14 (0.42) MAPK14MAPK11KDM4E
SCHEMBL3525469 0.90 MAPK14 (0.43) MAPK14MAPK11PTGER1KDM4E
SCHEMBL3523222 0.90 MAPK14 (0.42) MAPK14MAPK11KDM4E
SCHEMBL3527512 0.89 MAPK14 (0.42) MAPK14MAPK11KDM4E

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-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 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 (3 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885MAPK11 43/4885ACLY 2865/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885MAPK11 48/4885ACLY 3293/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885MAPK11 43/4885ACLY 2865/4885

“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.