SCHEMBL4580585

SCHEMBL4580585

CC(C)(C)OC(=O)NN(C(=O)c1ccc(CCC(=O)O)cc1)c1cccc(-c2cccs2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.50
GPR119 Q8TDV5 1/20 0.40
PPARG P37231 1/20 0.40
MMP2 P08253 2/20 0.39
MMP8 P22894 2/20 0.39
MMP12 P39900 2/20 0.39
MMP10 P09238 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
HDAC1 Q13547 4/20 0.38
GPR17 Q13304 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HTT P42858 1/20 0.37
CASP6 P55212 1/20 0.37

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
SCHEMBL2207150 0.85 HDAC1 (0.42) GPR119ALDH1A1POLBHDAC1
SCHEMBL4505385 0.83 GPR119 (0.41) GPR119ALDH1A1POLBHDAC1HTR1A
SCHEMBL5767875 0.83 GPR119 (0.42) GPR119ALDH1A1POLBHDAC1HDAC6
SCHEMBL4578927 0.82 TNFRSF1A (0.46) GPR119PPARGALDH1A1POLBHDAC1
SCHEMBL2205914 0.82 HDAC1 (0.54) GPR119HDAC1
SCHEMBL4518353 0.80 GPR119 (0.40) GPR119ALDH1A1POLBHDAC1HDAC6
SCHEMBL2208709 0.80 HDAC1 (0.42) GPR119HDAC1
SCHEMBL4578969 0.79 FFAR1 (0.56) FFAR1PPARGMMP2MMP8MMP12
SCHEMBL4579772 0.78 NPC1 (0.42) GPR119ALDH1A1POLBHTTHTR1A
SCHEMBL975476 0.75 MAPT (0.38) ALDH1A1POLBHDAC1HTTHTR1A

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
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 FFAR1 4255/4885GPR119 3089/4885PPARG 1826/4885

“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.