SCHEMBL724655

SCHEMBL724655

COC(=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
PTGS1 P23219 3/20 0.51
ALOX5 P09917 2/20 0.51
PTGS2 P35354 2/20 0.51
VCAM1 P19320 2/20 0.50
LMNA P02545 1/20 0.50
RECQL P46063 1/20 0.50
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAOB P27338 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
F2R P25116 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 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
SCHEMBL9774992 0.88 PTGS1 (0.57) PTGS1ALOX5PTGS2VCAM1LMNA
SCHEMBL11367049 0.85 ALDH1A1 (0.54) PTGS1ALOX5PTGS2VCAM1LMNA
SCHEMBL4783009 0.85 ALDH1A1 (0.49) PTGS1ALOX5PTGS2VCAM1LMNA
SCHEMBL622695 0.83 VCAM1 (0.48) PTGS1ALOX5PTGS2VCAM1LMNA
SCHEMBL4782911 0.81 MEN1 (0.46) VCAM1LMNARECQLKMT2AMEN1
SCHEMBL18083571 0.81 ALOX5 (0.53) PTGS1ALOX5PTGS2LMNARECQL
SCHEMBL8947077 0.80 GAA (0.59) PTGS1ALOX5PTGS2VCAM1LMNA
SCHEMBL4783649 0.80 VCAM1 (0.39) PTGS1ALOX5PTGS2VCAM1LMNA
SCHEMBL722951 0.79 GAA (0.54) PTGS1ALOX5PTGS2LMNARECQL
SCHEMBL755528 0.78 GAA (0.59) PTGS1ALOX5PTGS2VCAM1LMNA

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 18 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
CN-103917526-B Pyrimidine carboxamide derivatives 南京优迪生物医药有限公司 2016-08-24 CN 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
CN-103917526-A Pyrimidine carboxamide derivatives APAC PHARMACEUTICAL LLC 2014-07-09 CN 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
US-20120053346-A1 Pyrimidine Carboxamide Derivatives MAEHR HUBERT (US) 2012-03-01 US disclosed
WO-2008052288-A1 DITHIOLE COMPOUNDS AS COX INHIBITORS NEURO THERAPEUTICS LIMITED (AU) 2008-05-08 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 (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 PTGS1 22/4885ALOX5 560/4885PTGS2 155/4885
US-20150087665-A1 Pyrimidine carboxamide derivatives NOD1, IL1B, IRAK1 PTGS1 22/4885ALOX5 560/4885PTGS2 155/4885

“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.