SCHEMBL14645995

SCHEMBL14645995

COc1c(C(C)(C)C)cc2c(c1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1)C=C(C)C2[Si](C)(C)Cl

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL20165789 0.91 PTGS2 (0.31) PTGS2PTGS1
SCHEMBL29873709 0.91 PTGS2 (0.31) PTGS2PTGS1
SCHEMBL14645946 0.90 TDO2 (0.32)
SCHEMBL20165756 0.90 PTGS2 (0.30) PTGS2PTGS1
SCHEMBL29992354 0.90 PTGS2 (0.30) PTGS2PTGS1
SCHEMBL14645960 0.86 PDE4B (0.34)
SCHEMBL15931794 0.86
SCHEMBL21433858 0.83
SCHEMBL17409131 0.81
SCHEMBL20609994 0.81 TDO2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2746289-B1 Catalysts BOREALIS AG (AT) 2017-09-27 EP disclosed
EP-2729479-B1 CATALYSTS BOREALIS AG (AT) 2017-09-06 EP disclosed
US-9630980-B2 Asymmetrical ligands BOREALIS AG (AT) 2017-04-25 US disclosed
US-9469699-B2 Catalysts BOREALIS AG (AT) 2016-10-18 US disclosed
US-9469699-B2 Catalysts BOREALIS AG (AT) 2016-10-18 US disclosed
US-20160024123-A1 Asymmetrical Ligands BOREALIS AG (AT) 2016-01-28 US disclosed
US-20160024123-A1 Asymmetrical Ligands BOREALIS AG (AT) 2016-01-28 US disclosed
US-20160002369-A1 CATALYSTS BOREALIS AG (AT) 2016-01-07 US disclosed
US-20160002369-A1 CATALYSTS BOREALIS AG (AT) 2016-01-07 US disclosed
US-9187583-B2 Catalysts BOREALIS AG (AT) 2015-11-17 US disclosed
US-9187583-B2 Catalysts BOREALIS AG (AT) 2015-11-17 US disclosed
US-20140221584-A1 CATALYSTS BOREALIS AG (AT) 2014-08-07 US disclosed
US-20140221584-A1 CATALYSTS BOREALIS AG (AT) 2014-08-07 US disclosed
WO-2014096164-A1 CATALYSTS BOREALIS AG (AT) 2014-06-26 WO disclosed
EP-2746289-A1 Catalysts Borealis AG (AT) 2014-06-25 EP disclosed
EP-2729479-A1 CATALYSTS Borealis AG (AT) 2014-05-14 EP disclosed
WO-2013007650-A1 CATALYSTS BOREALIS AG (AT) 2013-01-17 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-20160002369-A1 CATALYSTS SIGMAR1, SFN, AP3S1 PTGS2 3592/4885PTGS1 4543/4885
US-20160024123-A1 Asymmetrical Ligands CCRL2, AR, CCR2 PTGS2 1902/4885PTGS1 3955/4885

“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.