SCHEMBL5558737

SCHEMBL5558737

COC(=O)c1cc(O)cc(Oc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
P2RY1 P47900 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GCGR P47871 1/20 0.46
MAOB P27338 1/20 0.45
NOTUM Q6P988 1/20 0.45
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.43
NR4A2 P43354 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL5558460 0.92 MAPT (0.61) MAPTP2RY1GAAMAPK1TDP1
SCHEMBL5552615 0.88 MAPT (0.62) MAPTP2RY1GAAMAPK1TDP1
SCHEMBL694268 0.84 MAPT (0.61) MAPTP2RY1CA1CA2GAA
SCHEMBL6154892 0.84 KDM4E (0.54) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL710275 0.81 CA12 (0.59) MAPTCA12CA1CA2CA7
SCHEMBL6229502 0.77 RAB9A (0.56) MAPTL3MBTL1MAOBMRGPRX4KDM4E
SCHEMBL3510175 0.76 ESR1 (0.65) MAPK1L3MBTL1MRGPRX4SMN1; SMN2
SCHEMBL3506718 0.76 NOTUM (0.68) CA12CA1CA2CA7CA9
SCHEMBL31144878 0.76 NOTUM (0.68) CA12CA1CA2CA7CA9
SCHEMBL9589388 0.76 RAB9A (0.55) MAPTL3MBTL1MAOBMRGPRX4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 US disclosed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 WO disclosed
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP MAPT 3318/4885P2RY1 2072/4885CA12 4547/4885
US-20070197577-A1 Inhibitors of anthrax lethal factor APAF1, ANTXR2, LITAF MAPT 4430/4885P2RY1 4616/4885CA12 2461/4885

“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.