SCHEMBL15080488

SCHEMBL15080488

O=C(ON1C(=O)CC([SH](=O)=O)C1=O)c1cccc(N2C(=O)C=CC2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.41
MGLL Q99685 4/20 0.39
FAAH O00519 1/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL21855116 0.85 GAA (0.44) MAPK1GAAMGLLFAAHKMT2A
SCHEMBL12410091 0.84 GAA (0.46) MAPK1GAAMGLLFAAHKMT2A
SCHEMBL29351152 0.81 GAA (0.41) MAPK1GAAMGLLFAAHKMT2A
SCHEMBL4289308 0.81 GAA (0.41) MAPK1GAAMGLLFAAHKMT2A
SCHEMBL15783840 0.81 GAA (0.41) MAPK1GAAMGLLFAAHKMT2A
SCHEMBL13499101 0.81 GAA (0.40) MAPK1GAAMGLLFAAHKMT2A
SCHEMBL9294612 0.81 GAA (0.40) MAPK1GAAMGLLFAAHKMT2A
SCHEMBL9294605 0.80 GAA (0.39) MAPK1GAAMGLLFAAHKMT2A
SCHEMBL79589 0.80 MAPK1 (0.54) MAPK1GAAMGLLFAAHKMT2A
SCHEMBL29354362 0.80 MAPK1 (0.54) MAPK1GAAMGLLFAAHKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9068013-B2 Recombinant lectins, binding-site modified lectins and uses thereof SMART CELLS, INC. (US) 2015-06-30 US disclosed
US-20140162906-A1 Pesticide Biomarker NAGY JON OWEN (US) 2014-06-12 US disclosed
US-8475765-B2 Hydroxyalkyl starch derivatives FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2013-07-02 US disclosed
US-8273787-B2 Activated cytotoxic compounds for attachment to targeting molecules for the treatment of mammalian disease conditions ONCONOVA THERAPEUTICS, INC (US) 2012-09-25 US disclosed
US-20110054152-A1 Hydroxyalkyl Starch Derivatives FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2011-03-03 US disclosed
US-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS ONCONOVA THERAPEUTICS, INC (US) 2010-01-28 US 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-20110054152-A1 Hydroxyalkyl Starch Derivatives GRHPR, DCXR, HRH2 MAPK1 3770/4885GAA 487/4885MGLL 23/4885
US-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS CD40, TNFRSF9, NGFR MAPK1 920/4885GAA 1375/4885MGLL 4088/4885

“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.