SCHEMBL4880738

SCHEMBL4880738

O=[PH](Oc1ccco1)Oc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 6/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
POLB P06746 7/20 0.33
KMT2A Q03164 6/20 0.33
MAPT P10636 4/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
MEN1 O00255 3/20 0.33
BLM P54132 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL27405675 0.87 CES2 (0.34) MMP1MMP9MMP12ALDH1A1CES2
SCHEMBL4880742 0.82
SCHEMBL29377475 0.71
SCHEMBL1326408 0.71 TP53 (0.41) MMP1MMP9MMP12CA1CA9
Water SCHEMBL29272692 0.69 TP53 (0.39) MMP1MMP9MMP12CA1CA9
Water SCHEMBL29272691 0.69 TP53 (0.39) MMP1MMP9MMP12CA1CA9
SCHEMBL188762 0.68 MMP1 (0.35) MMP1MMP9MMP12CA1CA9
SCHEMBL6990198 0.68
SCHEMBL827212 0.67
SCHEMBL10495916 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070868-A1 Novel Thiazole Inhibitors of Fructose 1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2008-03-20 US disclosed
US-20070225259-A1 Novel Thiazole Inhibitors of Fructose 1,6-Bishosphatase METABASIS THERAPEUTICS, INC. 2007-09-27 US disclosed
EP-1778250-A2 NOVEL THIAZOLE INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE Metabasis Therapeutics, Inc. (US) 2007-05-02 EP disclosed
WO-2006023515-A2 NOVEL THIAZOLE INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 2006-03-02 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-20070225259-A1 Novel Thiazole Inhibitors of Fructose 1,6-Bishosphatase FBP1, PFKFB1, ALDOA MMP1 1952/4885MMP9 2734/4885MMP12 2498/4885
US-20080070868-A1 Novel Thiazole Inhibitors of Fructose 1,6-bisphosphatase FBP1, ALDOA, SLC5A1 MMP1 1041/4885MMP9 1802/4885MMP12 1800/4885

“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.