SCHEMBL2198731

SCHEMBL2198731

O=C(c1cc(OCC(O)CO)ccc1F)c1ccc(Nc2ccc(F)cc2F)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.60
MAPK13 O15264 2/20 0.56
MAPK12 P53778 2/20 0.56
MAPK11 Q15759 2/20 0.56
HSPB1 P04792 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2B P41595 1/20 0.56
TMEM97 Q5BJF2 1/20 0.56
CDK4 P11802 1/20 0.43
CDK2 P24941 1/20 0.43
MAP2K2 P36507 2/20 0.42
MAP2K1 Q02750 2/20 0.42
BRAF P15056 1/20 0.42
MAPK1 P28482 1/20 0.42
MAP2K5 Q13163 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
SCHEMBL12164691 0.90 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11HSPB1
SCHEMBL2199484 0.87 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11HSPB1
SCHEMBL2199116 0.85 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11MAP2K1
SCHEMBL2198862 0.85 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11HSPB1
SCHEMBL2196890 0.82 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11HSPB1
SCHEMBL2199709 0.81 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11HSPB1
SCHEMBL2198558 0.80 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11MAP2K1
SCHEMBL2201628 0.79 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11HSPB1
SCHEMBL2199363 0.78 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2198289 0.78 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11HSPB1

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-1658263-B9 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2011-11-09 EP claimed
EP-1658263-B1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-06-02 EP claimed
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
EP-1658263-B9 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2011-11-09 EP 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-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed
EP-1658263-B1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-06-02 EP disclosed
EP-1658263-B1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-06-02 EP 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.