SCHEMBL2200514

SCHEMBL2200514

COc1ccc(C(=O)O)cc1C(=O)c1ccc(Nc2ccc(F)cc2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.52
MAPK13 O15264 3/20 0.52
MAPK12 P53778 3/20 0.52
MAPK11 Q15759 3/20 0.52
PYGL P06737 1/20 0.49
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 5/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
CSNK2A1 P68400 1/20 0.45
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL2199856 0.91 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL2200130 0.91 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL2200495 0.91 MAPK13 (0.59) MAPK14MAPK13MAPK12MAPK11PYGL
SCHEMBL2203119 0.89 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11PYGL
SCHEMBL2200077 0.86 MAPK13 (0.49) MAPK14MAPK13MAPK12MAPK11PYGL
SCHEMBL27634454 0.85 MAPK13 (0.60) MAPK14MAPK13MAPK12MAPK11PYGL
SCHEMBL2197745 0.85 MAPK13 (0.46) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL2199502 0.85 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11PYGL
SCHEMBL6080531 0.85 MAPK13 (0.46) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL2198442 0.85 MAPK13 (0.46) MAPK14MAPK13MAPK12MAPK11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006528597-A 2006-12-21 JP claimed
US-20060166990-A1 Novel aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-07-27 US claimed
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 EP claimed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 WO claimed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed
US-20060166990-A1 Novel aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-07-27 US disclosed
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 EP disclosed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 WO 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-20060166990-A1 Novel aminobenzophenone compounds NFKBIA, UACA, ALDH7A1 MAPK14 697/4885MAPK13 1063/4885MAPK12 955/4885

“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.