SCHEMBL4518353

SCHEMBL4518353

COC(=O)C(O)c1ccc(C(=O)N(NC(=O)OC(C)(C)C)c2cccc(-c3cccs3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.40
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
HDAC1 Q13547 4/20 0.35
HDAC6 Q9UBN7 3/20 0.35
KCNH2 Q12809 2/20 0.35
HTR1A P08908 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CCKAR P32238 1/20 0.35
HTR5A P47898 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
TNFRSF1A P19438 3/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL4505385 0.92 GPR119 (0.41) GPR119CTSLCTSSCTSKALDH1A1
SCHEMBL5767875 0.83 GPR119 (0.42) GPR119ALDH1A1POLBHDAC1HDAC6
SCHEMBL4580585 0.80 FFAR1 (0.50) GPR119ALDH1A1POLBHDAC1HDAC6
SCHEMBL4578927 0.80 TNFRSF1A (0.46) GPR119ALDH1A1POLBHDAC1HDAC6
SCHEMBL2207150 0.80 HDAC1 (0.42) GPR119ALDH1A1POLBHDAC1HDAC2
SCHEMBL4579772 0.78 NPC1 (0.42) GPR119CTSLCTSSCTSKALDH1A1
SCHEMBL2205914 0.77 HDAC1 (0.54) GPR119HDAC1HDAC3HDAC2HDAC8
SCHEMBL2208709 0.75 HDAC1 (0.42) GPR119HDAC1HDAC3HDAC2
SCHEMBL975476 0.75 MAPT (0.38) ALDH1A1POLBHDAC1HTR1AADORA3
SCHEMBL4518347 0.75 KCNH2 (0.51) ALDH1A1HDAC1HDAC6KCNH2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062297-A1 Hydroxyalkylarylamide Derivatives MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
EP-1973405-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-01 EP disclosed
WO-2007087130-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 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 (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-20090062297-A1 Hydroxyalkylarylamide Derivatives AADAC, HDAC5, HDAC3 GPR119 1522/4885CTSL 2758/4885CTSS 988/4885

“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.