SCHEMBL6154791

SCHEMBL6154791

CCOC(=O)c1ccc(Nc2nnc(-c3ccc(Oc4ccccc4)cc3)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.54
DDX3X O00571 1/20 0.53
RARA P10276 1/20 0.51
RARB P10826 1/20 0.51
RARG P13631 1/20 0.51
DHODH Q02127 2/20 0.51
HTT P42858 1/20 0.51
RXFP1 Q9HBX9 3/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RAB9A P51151 5/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 5/20 0.48
GBA1 P04062 1/20 0.48
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48

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
SCHEMBL28573282 0.91 HDAC6 (0.64) HDAC6RARARARBRARGDHODH
SCHEMBL15515850 0.81 KDM4E (0.60) DDX3XRARARARBRARGRXFP1
SCHEMBL28587303 0.79 HDAC6 (0.62) HDAC6DDX3XDHODHRXFP1LMNA
SCHEMBL1730420 0.77 SMN1; SMN2 (0.66) HTTLMNAMAPTMEN1KMT2A
SCHEMBL9176722 0.73 SMN1; SMN2 (0.72) HTTRXFP1LMNAPOLBMAPT
SCHEMBL5557794 0.73 HDAC6 (0.52) HDAC6HTTRXFP1LMNAMEN1
SCHEMBL14820572 0.73 HTT (0.79) HTTLMNAPOLBMAPTMEN1
SCHEMBL22532423 0.72 HDAC6 (0.56) HDAC6DHODHRXFP1LMNAMAPT
SCHEMBL24233043 0.72 KMT2A (0.71) HTTLMNAPOLBMAPTMEN1
SCHEMBL20522371 0.72 CSNK2A2 (0.51) HDAC6DDX3XHTTRXFP1POLB

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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US claimed
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 (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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP HDAC6 483/4885DDX3X 1271/4885RARA 4636/4885

“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.