SCHEMBL2734367

SCHEMBL2734367

CC(C)(C)OC(=O)c1ccc(N2CC[C@@H](O)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.50
WDR91 A4D1P6 3/20 0.46
USP2 O75604 1/20 0.42
ABL1 P00519 1/20 0.40
ALDH1A1 P00352 2/20 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
MAPT P10636 1/20 0.39
AR P10275 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL212011 1.00 GPR119 (0.50) GPR119WDR91USP2ABL1ALDH1A1
SCHEMBL12193417 1.00 GPR119 (0.50) GPR119WDR91USP2ABL1ALDH1A1
SCHEMBL23051648 0.92 GPR119 (0.55) GPR119WDR91USP2ALDH1A1CA12
SCHEMBL12279864 0.86 USP2 (0.52) GPR119USP2ALDH1A1CA12CA1
SCHEMBL2409985 0.85 GPR119 (0.51) GPR119USP2ALDH1A1CA12CA1
SCHEMBL2409983 0.85 GPR119 (0.51) GPR119USP2ALDH1A1CA12CA1
SCHEMBL22442384 0.84 ALDH1A1 (0.56) WDR91USP2ABL1ALDH1A1CA12
SCHEMBL20897541 0.84 ALDH1A1 (0.56) WDR91USP2ABL1ALDH1A1CA12
SCHEMBL25314882 0.84 ALDH1A1 (0.56) WDR91USP2ABL1ALDH1A1CA12
SCHEMBL29347007 0.84 NOTUM (0.58) GPR119

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-8354445-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-01-15 US 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-8030344-B2 Such as (S)-2-(Dimethylamino)ethyl-1-(4-(2-aminophenylcarbamoyl)-phenyl)pyrrolidin-3-ylcarbamate for treating cell proliferative disorders METHYLGENE INC. (CA) 2011-10-04 US disclosed
US-20110212965-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2011-09-01 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 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

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 GPR119 3268/4885WDR91 547/4885USP2 1509/4885
US-20110212965-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC5 GPR119 3108/4885WDR91 468/4885USP2 1433/4885
US-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 GPR119 3089/4885WDR91 372/4885USP2 930/4885

“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.