SCHEMBL525025

SCHEMBL525025

CC(=O)Oc1c(N(C)C)nc(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)nc1N(C)C

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.71
PTGDR Q13258 1/20 0.71
PTGDR2 Q9Y5Y4 1/20 0.71
HIF1A Q16665 4/20 0.46
EPAS1 Q99814 4/20 0.46
TRPV1 Q8NER1 3/20 0.46
TRPV4 Q9HBA0 1/20 0.46
CTNNB1 P35222 3/20 0.44
TCF7L2 Q9NQB0 3/20 0.44
PTGS1 P23219 2/20 0.44
RORC P51449 1/20 0.43
MCHR1 Q99705 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL27634905 0.93 PTGDR2 (0.65) TBXA2RPTGDRPTGDR2HIF1AEPAS1
SCHEMBL6878036 0.93 PTGDR2 (0.65) TBXA2RPTGDRPTGDR2HIF1AEPAS1
SCHEMBL27655923 0.92 PTGDR2 (0.63) TBXA2RPTGDRPTGDR2HIF1AEPAS1
SCHEMBL27634910 0.91 PTGDR2 (0.62) TBXA2RPTGDRPTGDR2HIF1AEPAS1
SCHEMBL12556772 0.84 PTGDR2 (0.80) TBXA2RPTGDRPTGDR2HIF1AEPAS1
SCHEMBL12569021 0.83 PTGDR2 (0.82) TBXA2RPTGDRPTGDR2HIF1AEPAS1
Bi-671800 SCHEMBL12415807 0.83 PTGDR2 (1.00) TBXA2RPTGDRPTGDR2HIF1AEPAS1
Bi-671800 SCHEMBL12415720 0.83 PTGDR2 (1.00) TBXA2RPTGDRPTGDR2HIF1AEPAS1
Bi-671800 SCHEMBL2788886 0.83 PTGDR2 (1.00) TBXA2RPTGDRPTGDR2HIF1AEPAS1
Bi-671800 SCHEMBL12415799 0.83 PTGDR2 (1.00) TBXA2RPTGDRPTGDR2HIF1AEPAS1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2504319-A1 PROCESS FOR PREPARING A POLYMORPH OF THE CHOLINE SALT OF A PYRIMIDIN-5-YL ACETIC ACID DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2012-10-03 EP claimed
WO-2011066176-A1 PROCESS FOR PREPARING A POLYMORPH OF THE CHOLINE SALT OF A PYRIMIDIN-5-YL ACETIC ACID DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-03 WO claimed
EP-2598143-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2013-06-05 EP disclosed
EP-2598145-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF RESPIRATORY AND INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2013-06-05 EP disclosed
EP-2451787-B1 POLYMORPH OF [4,6-BIS(DIMETHYLAMINO)-2-(4-{[4-(TRIFLUOROMETHYL)BENZOYL]AMINO}BENZYL)PYRIMIDIN-5-YL] BOEHRINGER INGELHEIM INT (DE) 2013-04-24 EP disclosed
US-20120302584-A1 NOVEL SALTS FORMS OF PYRIMIDIN-5-YL ACETIC ACID DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-29 US disclosed
US-20120302584-A1 NOVEL SALTS FORMS OF PYRIMIDIN-5-YL ACETIC ACID DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-29 US disclosed
EP-2504319-A1 PROCESS FOR PREPARING A POLYMORPH OF THE CHOLINE SALT OF A PYRIMIDIN-5-YL ACETIC ACID DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2012-10-03 EP disclosed
EP-2504319-A1 PROCESS FOR PREPARING A POLYMORPH OF THE CHOLINE SALT OF A PYRIMIDIN-5-YL ACETIC ACID DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2012-10-03 EP disclosed
EP-2504318-A2 CRYSTALLINE SALT FORMS OF A PYRIMIDIN-5-YL ACETIC ACID DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2012-10-03 EP disclosed
EP-2504318-A2 CRYSTALLINE SALT FORMS OF A PYRIMIDIN-5-YL ACETIC ACID DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2012-10-03 EP disclosed
WO-2011066176-A1 PROCESS FOR PREPARING A POLYMORPH OF THE CHOLINE SALT OF A PYRIMIDIN-5-YL ACETIC ACID DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-03 WO disclosed
WO-2011066176-A1 PROCESS FOR PREPARING A POLYMORPH OF THE CHOLINE SALT OF A PYRIMIDIN-5-YL ACETIC ACID DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-03 WO disclosed
WO-2011066147-A2 NOVEL SALT FORMS OF PYRIMIDIN-5-YL ACETIC ACID DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-03 WO disclosed
WO-2011005645-A1 POLYMORPH OF [4,6-BIS(DIMETHYLAMINO)-2-(4-{[4-(TRIFLUOROMETHYL)BENZOYL]AMINO}BENZYL)PYRIMIDIN-5-YL] BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-13 WO disclosed
WO-2011005645-A1 POLYMORPH OF [4,6-BIS(DIMETHYLAMINO)-2-(4-{[4-(TRIFLUOROMETHYL)BENZOYL]AMINO}BENZYL)PYRIMIDIN-5-YL] BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-13 WO disclosed
EP-2176240-A1 AMINE SALTS OF A CRTH2 ANTAGONIST Actimis Pharmaceuticals, Inc., (US) 2010-04-21 EP disclosed
EP-2170838-A1 PARTICULATES OF A CRTH2 ANTAGONIST Actimis Pharmaceuticals, Inc., (US) 2010-04-07 EP disclosed
WO-2008156781-A1 AMINE SALTS OF A CRTH2 ANTAGONIST ACTIMIS PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed
WO-2008156780-A1 PARTICULATES OF A CRTH2 ANTAGONIST ACTIMIS PHARMACEUTICALS, INC. (US) 2008-12-24 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-20120302584-A1 NOVEL SALTS FORMS OF PYRIMIDIN-5-YL ACETIC ACID DERIVATIVE SLC5A2, MDH1, GRIA2 TBXA2R 1172/4885PTGDR 2375/4885PTGDR2 1323/4885

“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.