SCHEMBL210575

SCHEMBL210575

O=C1NC(=O)C(Cc2ccc(OCCOc3ccc(C(=O)O)cc3)cc2)S1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.68
FFAR1 O14842 9/20 0.65
PPARA Q07869 2/20 0.62
HRH3 Q9Y5N1 1/20 0.59
MPC2 O95563 2/20 0.57
CYP2C8 P10632 2/20 0.57
CYP2C9 P11712 2/20 0.57
MAPT P10636 2/20 0.57
CYP3A4 P08684 2/20 0.57
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
RXRA P19793 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
SCHEMBL210722 0.90 MAPT (0.67) PPARGFFAR1PPARAHRH3MPC2
SCHEMBL1072226 0.88 FFAR1 (0.77) PPARGFFAR1PPARAHRH3MPC2
SCHEMBL212178 0.86 PPARG (0.68) PPARGFFAR1PPARAHRH3MPC2
SCHEMBL9570670 0.86 FFAR1 (0.71) PPARGFFAR1PPARAHRH3MPC2
SCHEMBL18157039 0.85 PPARG (0.74) PPARGFFAR1PPARAHRH3MPC2
SCHEMBL8957444 0.85 FFAR1 (0.69) PPARGFFAR1PPARAHRH3MPC2
SCHEMBL9570560 0.85 FFAR1 (0.69) PPARGFFAR1PPARAHRH3MPC2
SCHEMBL9570853 0.85 FFAR1 (0.69) PPARGFFAR1PPARAHRH3MPC2
SCHEMBL9570653 0.85 FFAR1 (0.69) PPARGFFAR1PPARAHRH3MPC2
SCHEMBL9570574 0.85 FFAR1 (0.69) PPARGFFAR1PPARAHRH3MPC2

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 12 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
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 1899/4885FFAR1 4362/4885PPARA 1348/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 PPARG 1875/4885FFAR1 4354/4885PPARA 1461/4885

“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.