SCHEMBL3575441

SCHEMBL3575441

Cc1nnc(C(F)c2ccc3cc(C(=O)O)sc3c2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.40
CTSA P10619 8/20 0.37
GPR35 Q9HC97 1/20 0.37
TBXAS1 P24557 1/20 0.36
HDAC1 Q13547 3/20 0.36
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
RPA1 P27694 5/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL3570560 0.83 S1PR3 (0.44) BCL2L1HDAC1HDAC3HDAC4HDAC6
SCHEMBL3566006 0.79 PPARD (0.39) BCL2L1CTSAGPR35KDM4EALDH1A1
SCHEMBL3576539 0.75 TP53 (0.45) KDM4EMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL26110187 0.71 GPR35 (0.53) BCL2L1GPR35TBXAS1HDAC1HDAC3
SCHEMBL3571329 0.71 BCL2L1 (0.49) BCL2L1GPR35TBXAS1HDAC1HDAC3
SCHEMBL3573993 0.70 BCL2L1 (0.45) BCL2L1GPR35TBXAS1HDAC1HDAC3
SCHEMBL26106915 0.70 BCL2L1 (0.51) BCL2L1GPR35TBXAS1HDAC1HDAC3
SCHEMBL121300 0.68 HDAC1 (0.70) BCL2L1GPR35TBXAS1HDAC1HDAC3
SCHEMBL3566904 0.65 BCL2L1 (0.46) BCL2L1HDAC1HDAC3HDAC4HDAC6
SCHEMBL3566907 0.65 BCL2L1 (0.46) BCL2L1HDAC1HDAC3HDAC4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US claimed
EP-1976511-A2 FLUORINATED ARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-08 EP claimed
WO-2007087129-A2 FLUORINATED ARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO 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-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-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

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 352/4885CTSA 191/4885GPR35 1560/4885
US-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 BCL2L1 156/4885CTSA 1132/4885GPR35 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.