SCHEMBL1568089

SCHEMBL1568089

COc1ccc(-c2noc(CCC(=O)O)c2Cl)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.45
PTGS1 P23219 1/20 0.45
PDE3A Q14432 1/20 0.45
POLB P06746 1/20 0.44
FFAR4 Q5NUL3 2/20 0.43
FFAR1 O14842 8/20 0.42
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
PTPN1 P18031 1/20 0.41
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
CTSA P10619 1/20 0.39

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
SCHEMBL1566913 0.86 FFAR4 (0.45) PTGS2PTGS1PDE3APOLBFFAR4
SCHEMBL6180126 0.78 PTGS2 (0.49) PTGS2PTGS1PDE3AFFAR4FFAR1
SCHEMBL14349861 0.74 CYP1A2 (0.54) LMNAATM
SCHEMBL2723938 0.71 POLB (0.77) POLBFFAR4FFAR1
SCHEMBL17265792 0.71 PRKAB2 (0.48) LMNAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1567735 0.71 PTGS2 (0.52) PTGS2PTGS1PDE3A
SCHEMBL9124507 0.70 PTGS2 (0.76) PTGS2PTGS1PDE3ALMNAATM
SCHEMBL6325644 0.69 LMNA (0.68) FFAR1LMNAATM
SCHEMBL333242 0.68 LMNA (0.67) POLBFFAR1LMNAATM
SCHEMBL19814817 0.67 ALDH1A1 (0.63) PTPN1PRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308838-B1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2016-02-17 EP disclosed
US-9150563-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-06 US disclosed
US-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-03 US disclosed
US-8648103-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-11 US disclosed
US-20120108639-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-03 US disclosed
EP-2308838-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-04-13 EP 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-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND NPR1, NPR3, NPC1 PTGS2 2458/4885PTGS1 1785/4885PDE3A 714/4885
US-20120108639-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND NPR1, NPR3, NPPA PTGS2 1947/4885PTGS1 1486/4885PDE3A 296/4885

“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.