SCHEMBL3566902

SCHEMBL3566902

CCOC(=O)c1cc2ccc(C(=O)C(=O)OC)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.53
MAPT P10636 6/20 0.46
GAA P10253 2/20 0.46
USP10 Q14694 1/20 0.46
PTPN2 P17706 2/20 0.45
SMN1; SMN2 Q16637 7/20 0.44
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
STAT1 P42224 1/20 0.44
KDM4E B2RXH2 4/20 0.42
CASP3 P42574 1/20 0.42
ATM Q13315 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 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
SCHEMBL192480 0.88 HDAC1 (0.68) HDAC1MAPTGAAUSP10PTPN2
SCHEMBL3561434 0.87 HDAC1 (0.49) HDAC1MAPTGAAUSP10PTPN2
SCHEMBL4605795 0.85 HDAC1 (0.48) HDAC1MAPTGAAUSP10PTPN2
SCHEMBL3578918 0.85 HDAC1 (0.47) HDAC1MAPTGAAUSP10PTPN2
SCHEMBL3503346 0.84 HDAC1 (0.51) HDAC1MAPTGAAUSP10PTPN2
SCHEMBL191958 0.84 HDAC1 (0.51) HDAC1MAPTGAAPTPN2SMN1; SMN2
SCHEMBL3501916 0.80 HDAC1 (0.48) HDAC1MAPTGAAUSP10PTPN2
SCHEMBL8250276 0.79 HDAC1 (0.60) HDAC1MAPTGAAPTPN2SMN1; SMN2
SCHEMBL1391041 0.79 MAPT (0.53) HDAC1MAPTGAAPTPN2SMN1; SMN2
SCHEMBL31207861 0.79 MAPT (0.53) HDAC1MAPTGAAPTPN2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
EP-1874295-A4 BENZOTHIOPHENE DERIVATIVES MERCK & CO INC (US) 2009-08-12 EP disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US disclosed
US-20090062297-A1 Hydroxyalkylarylamide Derivatives MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090062297-A1 Hydroxyalkylarylamide Derivatives MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US disclosed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US disclosed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US disclosed
EP-1976511-A2 FLUORINATED ARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-08 EP disclosed
EP-1874295-A1 BENZOTHIOPHENE DERIVATIVES Merck & Co., Inc. (US) 2008-01-09 EP disclosed
WO-2007087130-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO disclosed
WO-2007087129-A2 FLUORINATED ARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO disclosed
WO-2007087129-A2 FLUORINATED ARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO disclosed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 WO disclosed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 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 (3 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-20090062297-A1 Hydroxyalkylarylamide Derivatives AADAC, HDAC5, HDAC3 HDAC1 6/4885MAPT 2470/4885GAA 1044/4885
US-20090012075-A1 Fluorinated Arylamide Derivatives HDAC5, AADAC, HDAC6 HDAC1 4/4885MAPT 1949/4885GAA 1374/4885
US-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 HDAC1 4/4885MAPT 782/4885GAA 2196/4885

“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.