SCHEMBL11294063

SCHEMBL11294063

COC(=O)Cc1ccc(OCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.62
CA1 P00915 5/20 0.62
CA2 P00918 5/20 0.62
CA9 Q16790 5/20 0.62
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SUCNR1 Q9BXA5 5/20 0.49
PDK2 Q15119 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IDO1 P14902 1/20 0.45
SLC5A1 P13866 1/20 0.44

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
SCHEMBL14812141 0.96 CA1 (0.62) CA12CA1CA2CA9LMNA
SCHEMBL11302478 0.95 CA12 (0.57) CA12CA1CA2CA9LMNA
SCHEMBL926118 0.88 CA12 (0.63) CA12CA1CA2CA9LMNA
SCHEMBL21430480 0.87 CA1 (0.59) CA12CA1CA2CA9SUCNR1
SCHEMBL21429187 0.86 CA12 (0.64) CA12CA1CA2CA9SUCNR1
SCHEMBL18295353 0.86 CA1 (0.64) CA12CA1CA2CA9LMNA
SCHEMBL17974334 0.85 CA12 (0.66) CA12CA1CA2CA9LMNA
SCHEMBL17974332 0.85 CA12 (0.66) CA12CA1CA2CA9LMNA
SCHEMBL21601467 0.85 CA12 (0.69) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL928154 0.85 CA12 (0.59) CA12CA1CA2CA9LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059808-A1 WEE1 INHIBITORS AND METHODS FOR TREATING CANCER RECURIUM IP HOLDINGS, LLC (US) 2024-03-21 WO disclosed
WO-2019243576-A1 GLUCOSE-SENSITIVE PEPTIDE HORMONES GUBRA APS (DK) 2019-12-26 WO disclosed
WO-2019243576-A1 GLUCOSE-SENSITIVE PEPTIDE HORMONES GUBRA APS (DK) 2019-12-26 WO disclosed
US-10011574-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2018-07-03 US disclosed
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE SERVIER PHARMACEUTICALS LLC 2015-10-22 US disclosed
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE SERVIER PHARMACEUTICALS LLC 2015-10-22 US disclosed
EP-2665829-A1 COMPOUNDS AND METHODS FOR THE IDENTIFICATION AND CHARACTERIZATION OF HDAC INTERACTING COMPOUNDS Cellzome GmbH (DE) 2013-11-27 EP disclosed
WO-2012098006-A1 COMPOUNDS AND METHODS FOR THE IDENTIFICATION AND CHARACTERIZATION OF HDAC INTERACTING COMPOUNDS CELLZOME AG (DE) 2012-07-26 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-10011574-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL CA12 1566/4885CA1 1417/4885CA2 1135/4885
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE GLS, GLS2, GLUL CA12 1369/4885CA1 1260/4885CA2 887/4885

“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.