SCHEMBL4621767

SCHEMBL4621767

Cc1c(F)ccc(CO)c1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
MAP2K4 P45985 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36
MAPK6 Q16659 1/20 0.36
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
RIPK1 Q13546 1/20 0.33
METAP2 P50579 1/20 0.32
DAO P14920 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 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
SCHEMBL4621597 0.82 PDCD1 (0.39) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL14816144 0.82 PDCD1 (0.35) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL18899611 0.80 METAP2 (0.35) PDCD1CD274METAP2CYP4F2CYP4A11
SCHEMBL584538 0.79 CA2 (0.42) RIPK1
SCHEMBL11967063 0.79 RIPK1 (0.38) RIPK1METAP2DAO
SCHEMBL31670722 0.78 PDCD1 (0.33) PDCD1CD274METAP2
SCHEMBL31719921 0.78 PDCD1 (0.33) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL20562966 0.78 PDCD1 (0.33) PDCD1CD274METAP2
SCHEMBL8128078 0.78 PDCD1 (0.33) PDCD1CD274METAP2
SCHEMBL698604 0.78 CES2 (0.41) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1514864-B1 Difluoralkyl aromatic compounds SALTIGO GMBH (DE) 2008-03-19 EP claimed
EP-1514864-A2 Difluoralkyl aromatic compounds Bayer Chemicals AG (DE) 2005-03-16 EP claimed
US-20050054733-A1 Difluoroalkylaromatics LANXESS DEUTSCHLAND GMBH (DE) 2005-03-10 US claimed
US-9056110-B2 Substituted pyrimidinone-phenyl-pyrimidinyl compounds CONFLUENCE LIFE SCIENCES, INC. (US) 2015-06-16 US disclosed
US-9056110-B2 Substituted pyrimidinone-phenyl-pyrimidinyl compounds CONFLUENCE LIFE SCIENCES, INC. (US) 2015-06-16 US disclosed
US-9056110-B2 Substituted pyrimidinone-phenyl-pyrimidinyl compounds CONFLUENCE LIFE SCIENCES, INC. (US) 2015-06-16 US disclosed
WO-2013086208-A1 SUBSTITUTED PYRIMIDINONE-PHENYL-PYRIMIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES, INC. (US) 2013-06-13 WO disclosed
WO-2013086208-A1 SUBSTITUTED PYRIMIDINONE-PHENYL-PYRIMIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES, INC. (US) 2013-06-13 WO disclosed
US-20130143906-A1 SUBSTITUTED PYRIMIDINONE-PHENYL-PYRIMIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES, INC. (US) 2013-06-06 US disclosed
US-20130143906-A1 SUBSTITUTED PYRIMIDINONE-PHENYL-PYRIMIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES, INC. (US) 2013-06-06 US disclosed
US-20130143906-A1 SUBSTITUTED PYRIMIDINONE-PHENYL-PYRIMIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES, INC. (US) 2013-06-06 US disclosed
EP-1514864-B1 Difluoralkyl aromatic compounds SALTIGO GMBH (DE) 2008-03-19 EP disclosed
EP-1514864-A2 Difluoralkyl aromatic compounds Bayer Chemicals AG (DE) 2005-03-16 EP disclosed
EP-1514864-A2 Difluoralkyl aromatic compounds Bayer Chemicals AG (DE) 2005-03-16 EP disclosed
US-20050054733-A1 Difluoroalkylaromatics LANXESS DEUTSCHLAND GMBH (DE) 2005-03-10 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 (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-20130143906-A1 SUBSTITUTED PYRIMIDINONE-PHENYL-PYRIMIDINYL COMPOUNDS MAP3K8, MAP3K1, MAP3K2 MAPK1 14/4885MAP2K4 607/4885MAPKAPK2 29/4885
US-20050054733-A1 Difluoroalkylaromatics NQO1, TYR, FLI1 MAPK1 3828/4885MAP2K4 4316/4885MAPKAPK2 1896/4885

“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.