SCHEMBL926118

SCHEMBL926118

CC(C)(C)OC(=O)NCCOc1ccc(CC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.63
CA1 P00915 5/20 0.63
CA2 P00918 5/20 0.63
CA9 Q16790 5/20 0.63
PPARD Q03181 1/20 0.53
SUCNR1 Q9BXA5 5/20 0.53
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PDK2 Q15119 1/20 0.49
IDO1 P14902 1/20 0.49
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL14811632 0.96 CA12 (0.64) CA12CA1CA2CA9PPARD
SCHEMBL21068422 0.92 SUCNR1 (0.59) CA12CA1CA2CA9PPARD
SCHEMBL11294063 0.88 CA12 (0.62) CA12CA1CA2CA9SUCNR1
SCHEMBL18295353 0.87 CA1 (0.64) CA12CA1CA2CA9SUCNR1
SCHEMBL8474870 0.87 CA12 (0.60) CA12CA1CA2CA9SUCNR1
SCHEMBL17974332 0.86 CA12 (0.66) CA12CA1CA2CA9SUCNR1
SCHEMBL17974334 0.86 CA12 (0.66) CA12CA1CA2CA9SUCNR1
SCHEMBL21068676 0.86 CA12 (0.66) CA12CA1CA2CA9SUCNR1
SCHEMBL928154 0.86 CA12 (0.59) CA12CA1CA2CA9SUCNR1
SCHEMBL18226889 0.85 CA12 (0.68) CA12CA1CA2CA9SUCNR1

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
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
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
US-7872021-B2 LXR receptor modulators LABORATORIES FOURNIER S.A. (FR) 2011-01-18 US disclosed
US-20070099960-A1 LXR receptor modulators LABORATOIRES FOURNIER S.A. (FR) 2007-05-03 US disclosed
US-6657063-B1 (4-(2-(2-(6-aminopyridin-3-yl)-2(R)-hydroxyethylamino) ethoxy)phenyl)acetic acid derivatives; dietetics; hypotensive agents; non-insulin dependent diabetes treatment PFIZER INC. 2003-12-02 US disclosed
EP-0920864-A1 Combination therapy including a specific beta-3 agonist and an anorectic agent Pfizer Products Inc. (US) 1999-06-09 EP 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-10011574-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL CA12 1566/4885CA1 1417/4885CA2 1135/4885
US-20070099960-A1 LXR receptor modulators NR1H2, NR1H3, PPARD CA12 4858/4885CA1 4801/4885CA2 4607/4885
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.