SCHEMBL212898

SCHEMBL212898

CC(C)(C)OC(=O)c1ccc(N2CCC(=O)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.44
GPR119 Q8TDV5 8/20 0.42
ALDH1A1 P00352 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CRBN Q96SW2 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NAMPT P43490 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35

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
SCHEMBL23051649 0.91 GPR119 (0.47) SRD5A1GPR119ALDH1A1CA12CA1
SCHEMBL22442363 0.84 ALDH1A1 (0.57) ALDH1A1CA12CA1CA2CA9
SCHEMBL8159908 0.80 MAPT (0.51) GPR119ALDH1A1CA12CA1CA2
SCHEMBL9829081 0.80 ALDH1A1 (0.55) ALDH1A1CA12CA1CA2CA9
SCHEMBL6916052 0.79 RAB9A (0.51) GPR119ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2300900 0.78 USP2 (0.54) GPR119ALDH1A1CA12CA1CA2
SCHEMBL14157779 0.78 GPR119 (0.54) GPR119ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL31565597 0.77 CRBN (0.42) SRD5A1GPR119ALDH1A1CA12CA1
SCHEMBL4580340 0.77 CA12 (0.53) ALDH1A1CA12CA1CA2CA9
SCHEMBL5536717 0.77 ALDH1A1 (0.55) GPR119ALDH1A1MAPTLMNA

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
EP-1735319-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2017-05-03 EP disclosed
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-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
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
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 (3 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 SRD5A1 2459/4885GPR119 3268/4885ALDH1A1 680/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 SRD5A1 1790/4885GPR119 3053/4885ALDH1A1 758/4885
US-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 SRD5A1 2430/4885GPR119 3089/4885ALDH1A1 796/4885

“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.