SCHEMBL4942479

SCHEMBL4942479

O=S(=O)(O)c1cccc2cc(O)c(O)cc12.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.47
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MPL P40238 2/20 0.44
ATIC P31939 1/20 0.43
CDK2 P24941 2/20 0.42
FABP4 P15090 1/20 0.42
CCNA2 P20248 1/20 0.42
MAPK14 Q16539 1/20 0.42
CTRC Q99895 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL2904202 0.98 TTR (0.48) TTRAURKAAURKBKDM4EMEN1
SCHEMBL14672472 0.92 TTR (0.47) TTRAURKAAURKBKDM4EMEN1
SCHEMBL5442629 0.90 TTR (0.48) TTRAURKAAURKBKDM4EMEN1
SCHEMBL7890129 0.90 TTR (0.48) TTRAURKAAURKBKDM4EMEN1
SCHEMBL31255668 0.90 TTR (0.48) TTRAURKAAURKBKDM4EMEN1
SCHEMBL14672474 0.89 TTR (0.47) TTRAURKAAURKBKDM4EMEN1
SCHEMBL11204718 0.87 AURKA (0.47) TTRAURKAAURKBKDM4EMEN1
SCHEMBL686665 0.86 TTR (0.55) TTRAURKAAURKBKDM4EMEN1
SCHEMBL686854 0.84 TTR (0.53) TTRAURKAAURKBKDM4EMEN1
SCHEMBL29987260 0.84 TTR (0.53) TTRAURKAAURKBKDM4EMEN1

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
EP-1549598-A4 NAPTHTHALENE DERIVATIVES WHICH INHIBIT THE CYTOKINE OR BIOLOGICAL ACTIVITY OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) CORTICAL PTY LTD (AU) 2008-01-23 EP disclosed
US-20060106102-A1 Napththalene derivatives which inhibit the cytokine or biological activity of microphage migration inhibitory factor (mif) Morand, Eric 2006-05-18 US disclosed
EP-1549598-A1 NAPTHTHALENE DERIVATIVES WHICH INHIBIT THE CYTOKINE OR BIOLOGICAL ACTIVITY OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) Cortical Pty Ltd (AU) 2005-07-06 EP disclosed
WO-2003104178-A1 NAPTHTHALENE DERIVATIVES WHICH INHIBIT THE CYTOKINE OR BIOLOGICAL ACTIVITY OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) CORTICAL PTY LTD (AU) 2003-12-18 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-20060106102-A1 Napththalene derivatives which inhibit the cytokine or biological activity of microphage migration inhibitory factor (mif) MIF, ARG1, MSR1 TTR 4158/4885AURKA 4717/4885AURKB 4107/4885

“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.