SCHEMBL212178

SCHEMBL212178

COC(=O)c1ccc(OCCOc2ccc(CC3SC(=O)NC3=O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.68
MPC2 O95563 2/20 0.60
CYP2C8 P10632 2/20 0.60
CYP2C9 P11712 2/20 0.60
FFAR1 O14842 4/20 0.58
MAPT P10636 3/20 0.58
CYP3A4 P08684 2/20 0.58
RXRA P19793 1/20 0.58
PPARA Q07869 1/20 0.58
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HRH3 Q9Y5N1 1/20 0.56

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
SCHEMBL212000 0.92 PPARG (0.62) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL210575 0.86 PPARG (0.68) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL9570670 0.83 FFAR1 (0.71) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL1130999 0.82 PPARG (0.67) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL1072226 0.82 FFAR1 (0.77) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL14188614 0.82 PPARG (0.67) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL9570574 0.82 FFAR1 (0.69) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL8957444 0.82 FFAR1 (0.69) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL9570560 0.82 FFAR1 (0.69) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL9570853 0.82 FFAR1 (0.69) PPARGMPC2CYP2C8CYP2C9FFAR1

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-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 PPARG 1899/4885MPC2 3378/4885CYP2C8 4381/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 PPARG 1875/4885MPC2 3347/4885CYP2C8 4584/4885

“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.