SCHEMBL3521142

SCHEMBL3521142

Cc1nc(OCc2ccc(F)cc2F)cc(=O)n1C/C=C/C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.41
MAOB P27338 1/20 0.40
GSK3B P49841 2/20 0.40
BACE1 P56817 2/20 0.40
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
ALKBH1 Q13686 1/20 0.38
MAPK14 Q16539 11/20 0.37
GLP1R P43220 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
SCHEMBL3521145 1.00 PTGER1 (0.41) PTGER1MAOBGSK3BBACE1KDM5A
SCHEMBL4465621 0.82 MAOB (0.46) PTGER1MAOBGSK3BBACE1ALKBH1
SCHEMBL4465611 0.82 MAOB (0.46) PTGER1MAOBGSK3BBACE1ALKBH1
SCHEMBL3521852 0.82 MAPK14 (0.45) MAPK14
SCHEMBL3521858 0.82 MAPK14 (0.45) MAPK14
SCHEMBL3520089 0.79 MAPK14 (0.51) PTGER1MAOBKDM5AKDM4CKDM5B
SCHEMBL3523048 0.78 MAPK14 (0.39) PTGER1MAOBMAPK14
SCHEMBL3519136 0.76 MAPK14 (0.49) MAOBMAPK14
SCHEMBL4392632 0.75 MAPK14 (0.62) MAPK14
SCHEMBL4389770 0.75 MAPK14 (0.62) MAPK14

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 PTGER1 245/4885MAOB 1718/4885GSK3B 2265/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 PTGER1 215/4885MAOB 1814/4885GSK3B 2162/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 PTGER1 245/4885MAOB 1718/4885GSK3B 2265/4885

“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.