SCHEMBL3562083

SCHEMBL3562083

NC(=O)C(F)(c1ccccc1)c1ccc2cc(C(=O)O)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.51
PTPN2 P17706 3/20 0.43
GPR35 Q9HC97 1/20 0.41
HDAC1 Q13547 9/20 0.40
SLC9A1 P19634 1/20 0.39
KCNN4 O15554 3/20 0.37
TBXAS1 P24557 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CHRNA7 P36544 1/20 0.36

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
SCHEMBL3580021 0.83 BCL2L1 (0.49) BCL2L1PTPN2GPR35HDAC1SLC9A1
SCHEMBL3573988 0.81 BCL2L1 (0.46) BCL2L1PTPN2GPR35HDAC1SLC9A1
SCHEMBL31262807 0.80 BCL2L1 (0.54) BCL2L1PTPN2GPR35HDAC1TBXAS1
SCHEMBL120469 0.80 BCL2L1 (0.54) BCL2L1PTPN2GPR35HDAC1TBXAS1
SCHEMBL17968493 0.74 MAPT (0.56) KCNN4
SCHEMBL30456961 0.73 DYRK1A (0.50) PTPN2HDAC1SLC9A1HDAC3HDAC4
SCHEMBL29438783 0.69 BCL2L1 (1.00) BCL2L1GPR35HDAC1SLC9A1HDAC3
SCHEMBL93858 0.69 BCL2L1 (1.00) BCL2L1GPR35HDAC1SLC9A1HDAC3
SCHEMBL15697540 0.69 BCL2L1 (0.66) BCL2L1GPR35HDAC1HDAC3HDAC4
SCHEMBL3568824 0.69 BCL2L1 (0.42) BCL2L1PTPN2GPR35HDAC1TBXAS1

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 8 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 claimed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US claimed
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-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US disclosed
EP-1874295-A1 BENZOTHIOPHENE DERIVATIVES Merck & Co., Inc. (US) 2008-01-09 EP 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 (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-20090012075-A1 Fluorinated Arylamide Derivatives HDAC5, AADAC, HDAC6 BCL2L1 352/4885PTPN2 412/4885GPR35 1560/4885
US-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 BCL2L1 156/4885PTPN2 940/4885GPR35 1639/4885

“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.