SCHEMBL3564109

SCHEMBL3564109

Cc1cc(=O)c(O)c(CO[Si](C)(C)C(C)(C)C)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.40
MMP3 P08254 3/20 0.36
IDH1 O75874 2/20 0.36
PTGS1 P23219 8/20 0.36
PTGS2 P35354 8/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL13439135 0.78 MMP2 (0.46) MMP2MMP3IDH1PTGS1PTGS2
SCHEMBL754031 0.77 KDM4E (0.45) MAPTKDM4EPOLBL3MBTL1CYP1A2
SCHEMBL3394959 0.75 PTGS2 (0.47) PTGS1PTGS2KDM4ELMNAGAA
SCHEMBL3555649 0.74 PTGS2 (0.34) PTGS1PTGS2
SCHEMBL3560853 0.74 LMNA (0.43) IDH1PTGS2MAPTPOLBL3MBTL1
SCHEMBL5315829 0.72 MMP2 (0.49) MMP2MMP3PTGS1PTGS2TP53
SCHEMBL2120661 0.72 MMP2 (0.49) MMP2MMP3PTGS1PTGS2TP53
SCHEMBL3552683 0.69 PTGS2 (0.48) PTGS1PTGS2
SCHEMBL8397201 0.69 MMP2 (0.47) MMP2MMP3PTGS1PTGS2TP53
SCHEMBL9625193 0.69 MMP2 (0.47) MMP2MMP3PTGS1PTGS2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674808-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2010-03-09 US disclosed
US-7674808-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2010-03-09 US disclosed
US-7629365-B2 antimalarial agent; 3-chloro-6-(hydroxymethyl)-2-methyl-5-[4-({4-[(trifluoromethyl)oxy]phenyl}oxy)phenyl]-4(1H )-pyridinone GLAXO GROUP LIMITED (GB) 2009-12-08 US disclosed
US-7629365-B2 antimalarial agent; 3-chloro-6-(hydroxymethyl)-2-methyl-5-[4-({4-[(trifluoromethyl)oxy]phenyl}oxy)phenyl]-4(1H )-pyridinone GLAXO GROUP LIMITED (GB) 2009-12-08 US disclosed
EP-1967515-A1 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2008-09-10 EP disclosed
US-20080021073-A1 NOVEL HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-24 US disclosed
US-20080021073-A1 NOVEL HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-24 US disclosed
US-20070281977-A1 NOVEL HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-06 US disclosed
US-20070281977-A1 NOVEL HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-06 US disclosed
EP-1862459-A1 Novel heterocyclic compounds GLAXO GROUP LIMITED (GB) 2007-12-05 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-20080021073-A1 NOVEL HETEROCYCLIC COMPOUNDS CYP4B1, CYP3A4, G6PD MMP2 3931/4885MMP3 4863/4885IDH1 134/4885
US-20070281977-A1 NOVEL HETEROCYCLIC COMPOUNDS CYP4B1, CYP2C19, CYP3A4 MMP2 3636/4885MMP3 4618/4885IDH1 126/4885

“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.