SCHEMBL9900949

SCHEMBL9900949

Fc1cnc(Cl)nc1OCCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
LIPE Q05469 6/20 0.44
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.42
DAGLA Q9Y4D2 1/20 0.42
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.41
SCN9A Q15858 3/20 0.40
RAB9A P51151 1/20 0.40
BCHE P06276 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
SCHEMBL15262246 0.90 THRB (0.45) THRBLIPEPLAAT3PLAAT5PLAAT2
SCHEMBL15277243 0.87 LIPE (0.46) THRBLIPEPLAAT3PLAAT5PLAAT2
SCHEMBL15262573 0.87 L3MBTL1 (0.46) THRBLIPEPLAAT3PLAAT5PLAAT2
SCHEMBL9901720 0.86 PIN1 (0.44) POLBCASP6
SCHEMBL9904664 0.82 PLA2G7 (0.38) THRBPOLBCASP6MAPK1
SCHEMBL9904793 0.82 LIPE (0.51) THRBLIPEPLAAT3PLAAT5PLAAT2
SCHEMBL9900916 0.82 POLB (0.41) PLAAT3PLAAT5PLAAT2PLAAT4POLB
SCHEMBL15262340 0.82 PLA2G7 (0.45) POLBCASP6
SCHEMBL9905008 0.81 PLAAT3 (0.44) THRBLIPEPLAAT3PLAAT5PLAAT2
SCHEMBL9923435 0.80 LIPE (0.45) THRBLIPEPLAAT3PLAAT5PLAAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
EP-2649050-A1 COMPOUNDS Glaxo Group Limited (GB) 2013-10-16 EP disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 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-20130252986-A1 COMPOUNDS LIPG, ENPP2, PLA2G1B THRB 4795/4885LIPE 75/4885PLAAT3 58/4885

“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.