SCHEMBL4579566

SCHEMBL4579566

NN(C(=O)c1cccc(CCC(=O)O)c1)c1cccc(-c2cccs2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.53
PPARG P37231 1/20 0.43
GPR17 Q13304 1/20 0.43
HPGDS O60760 1/20 0.41
MMP2 P08253 1/20 0.40
MMP10 P09238 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
HDAC1 Q13547 4/20 0.40
FFAR4 Q5NUL3 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
PKM P14618 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4578969 0.90 FFAR1 (0.56) FFAR1PPARGGPR17HPGDSMMP2
SCHEMBL4577912 0.79 KDM4E (0.44) HPGDSHDAC1HDAC3HDAC2MAPT
SCHEMBL4578416 0.79 FFAR1 (0.46) FFAR1HDAC1HDAC3HDAC2PRMT6
SCHEMBL15465368 0.76 KAT6A (0.39) HDAC1HDAC3HDAC2DRD2DRD4
SCHEMBL4578184 0.75 MEN1 (0.45) HDAC1HDAC3HDAC2ALDH1A1MAPT
SCHEMBL2209356 0.73 HDAC1 (0.59) HPGDSHDAC1HDAC3HDAC2
SCHEMBL4579984 0.73 NPC1 (0.46) HDAC1HDAC3HDAC2ALDH1A1MAPT
SCHEMBL4579133 0.73 HDAC2 (0.47) FFAR1HDAC1HDAC3HDAC2KAT6A
SCHEMBL4311941 0.73 KCNH2 (0.39) FFAR1HPGDSHDAC1HDAC3HDAC2
SCHEMBL4579561 0.73 HDAC1 (0.71) HDAC1HDAC3HDAC2

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 5 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
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 FFAR1 4255/4885PPARG 1826/4885GPR17 4332/4885

“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.