SCHEMBL722951

SCHEMBL722951

CNC(=O)CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.54
ALOX5 P09917 2/20 0.51
PTGS1 P23219 2/20 0.51
PTGS2 P35354 2/20 0.51
LMNA P02545 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
MAOB P27338 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
F2R P25116 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 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
SCHEMBL9282683 0.85 GAA (0.60) GAAALOX5PTGS1PTGS2LMNA
SCHEMBL18083571 0.81 ALOX5 (0.53) GAAALOX5PTGS1PTGS2LMNA
SCHEMBL724655 0.79 PTGS1 (0.51) GAAALOX5PTGS1PTGS2LMNA
SCHEMBL1928189 0.78 LMNA (0.61) GAAALOX5PTGS1PTGS2LMNA
SCHEMBL6960979 0.78 GAA (0.61) GAAALOX5PTGS1PTGS2LMNA
SCHEMBL10414409 0.77 ALOX5 (0.55) GAAALOX5PTGS1PTGS2LMNA
SCHEMBL1189097 0.77 ALOX5 (0.55) GAAALOX5PTGS1PTGS2LMNA
SCHEMBL10786189 0.77 ALOX5 (0.55) GAAALOX5PTGS1PTGS2LMNA
SCHEMBL2481839 0.77 ALOX5 (0.55) GAAALOX5PTGS1PTGS2LMNA
SCHEMBL10786179 0.77 ALOX5 (0.55) GAAALOX5PTGS1PTGS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751084-B1 PYRIMIDINE CARBOXAMIDE DERIVATIVES EUDIS BIOTECH LLC (CN) 2016-09-21 EP disclosed
US-9249107-B2 Pyrimidine carboxamide derivatives MAEHR HUBERT (US) 2016-02-02 US disclosed
US-9249107-B2 Pyrimidine carboxamide derivatives MAEHR HUBERT (US) 2016-02-02 US disclosed
US-9249107-B2 Pyrimidine carboxamide derivatives MAEHR HUBERT (US) 2016-02-02 US disclosed
US-20150087665-A1 Pyrimidine carboxamide derivatives Maehr, Hubert (US) 2015-03-26 US disclosed
US-20150087665-A1 Pyrimidine carboxamide derivatives Maehr, Hubert (US) 2015-03-26 US disclosed
US-20150087665-A1 Pyrimidine carboxamide derivatives Maehr, Hubert (US) 2015-03-26 US disclosed
EP-2751084-A1 PYRIMIDINE CARBOXAMIDE DERIVATIVES Apac Pharmaceutical LLC. (US) 2014-07-09 EP disclosed
US-8580805-B2 Pyrimidine carboxamide derivatives MAEHR HUBERT (US) 2013-11-12 US disclosed
US-8580805-B2 Pyrimidine carboxamide derivatives MAEHR HUBERT (US) 2013-11-12 US disclosed
US-8580805-B2 Pyrimidine carboxamide derivatives MAEHR HUBERT (US) 2013-11-12 US disclosed
WO-2013032522-A1 PYRIMIDINE CARBOXAMIDE DERIVATIVES APAC PHARMACEUTICAL LLC. (US) 2013-03-07 WO disclosed
US-20120053346-A1 Pyrimidine Carboxamide Derivatives MAEHR HUBERT (US) 2012-03-01 US disclosed
US-20120053346-A1 Pyrimidine Carboxamide Derivatives MAEHR HUBERT (US) 2012-03-01 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-20120053346-A1 Pyrimidine Carboxamide Derivatives NOD1, IL1B, IRAK1 GAA 3313/4885ALOX5 560/4885PTGS1 22/4885
US-20150087665-A1 Pyrimidine carboxamide derivatives NOD1, IL1B, IRAK1 GAA 3313/4885ALOX5 560/4885PTGS1 22/4885

“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.