SCHEMBL3568547

SCHEMBL3568547

Cc1ccc(S(=O)(=O)NCc2ccc3sc(C(=O)Nc4ccccc4N)cc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.52
NPY5R Q15761 1/20 0.47
HDAC1 Q13547 7/20 0.47
CYP19A1 P11511 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CA12 O43570 1/20 0.44
ATM Q13315 1/20 0.44
CA9 Q16790 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.43
NOS2 P35228 2/20 0.43
CYP2C19 P33261 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
SCHEMBL3563752 0.83 HDAC2 (0.55) HDAC2HDAC1
SCHEMBL3571781 0.79 HDAC1 (0.71) HDAC2HDAC1
SCHEMBL3568732 0.77 HDAC2 (0.72) HDAC2HDAC1
SCHEMBL3570046 0.77 HDAC1 (0.60) HDAC2HDAC1
SCHEMBL3569534 0.76 HDAC2 (0.70) HDAC2HDAC1
SCHEMBL3570854 0.76 HDAC2 (0.54) HDAC2HDAC1
SCHEMBL3561983 0.76 HDAC1 (0.57) HDAC2HDAC1
SCHEMBL1885459 0.76 HDAC1 (0.62) HDAC2NPY5RHDAC1CYP19A1CYP1A2
SCHEMBL3569502 0.76 HDAC1 (0.63) HDAC2HDAC1
SCHEMBL3565994 0.75 HDAC2 (0.57) HDAC2HDAC1

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
EP-1874295-A4 BENZOTHIOPHENE DERIVATIVES MERCK & CO INC (US) 2009-08-12 EP claimed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US claimed
EP-1874295-A1 BENZOTHIOPHENE DERIVATIVES Merck & Co., Inc. (US) 2008-01-09 EP claimed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 WO claimed
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 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 (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-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 HDAC2 8/4885NPY5R 2440/4885HDAC1 4/4885

“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.