SCHEMBL2199089

SCHEMBL2199089

Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA9 Q16790 1/20 0.52
MAP1LC3B Q9GZQ8 1/20 0.48
MAP1LC3A Q9H492 1/20 0.48
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
NPY4R P50391 7/20 0.42
NPY1R P25929 5/20 0.42
NPY5R Q15761 4/20 0.42

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
SCHEMBL29419661 1.00 CA12 (0.52) CA12CA1CA9MAP1LC3BMAP1LC3A
SCHEMBL17821546 1.00 CA12 (0.52) CA12CA1CA9MAP1LC3BMAP1LC3A
Hydrochloric Acid SCHEMBL11217796 0.97 CA1 (0.49) CA12CA1CA9MAP1LC3BMAP1LC3A
SCHEMBL14050068 0.94 CA12 (0.49) CA12CA1CA9MAP1LC3BMAP1LC3A
SCHEMBL29405051 0.94 CA12 (0.49) CA12CA1CA9MAP1LC3BMAP1LC3A
SCHEMBL2334528 0.93 CA12 (0.45) CA12CA1CA9MAP1LC3BMAP1LC3A
Acetic Acid SCHEMBL644616 0.93 CA1 (0.47) CA12CA1CA9MAP1LC3BMAP1LC3A
SCHEMBL6916459 0.92 CA1 (0.51) CA12CA1CA9MAP1LC3BMAP1LC3A
SCHEMBL29543720 0.92 CA1 (0.51) CA12CA1CA9MAP1LC3BMAP1LC3A
SCHEMBL29543863 0.92 CA1 (0.53) CA12CA1CA9KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160347792-A1 FLUORINATED EPOXYKETONE-BASED COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS TRILLIUM THERAPEUTICS INC. (CA) 2016-12-01 US disclosed
US-9441012-B2 Fluorinated epoxyketone-based compounds and uses thereof as proteasome inhibitors TRILLIUM THERAPEUTICS INC. (CA) 2016-09-13 US disclosed
US-20150218212-A1 FLUORINATED EPOXYKETONE-BASED TETRAPEPTIDE COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS FLUORINOV PHARMA INC. (CA) 2015-08-06 US disclosed
US-20150203534-A1 FLUORINATED EPOXYKETONE-BASED COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS FLUORINOV PHARMA INC. (CA) 2015-07-23 US disclosed
EP-2885314-A1 FLUORINATED EPOXYKETONE-BASED COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS Fluorinov Pharma Inc. (CA) 2015-06-24 EP disclosed
WO-2014161072-A1 Α-BORYL ISOCYANIDES, BOROPEPTIDES AND BORON HETEROCYCLES THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2014-10-09 WO disclosed
CN-102137682-B Anti-hepatitis c virus composition UNIV OSAKA 2014-07-02 CN disclosed
EP-2351585-B1 ANTI-HEPATITIS C VIRUS COMPOSITION COMPRISING A NUCLEIC ACID THAT IS DIRECTED AGAINST PA28-GAMMA UNIV OSAKA (JP) 2014-03-26 EP disclosed
WO-2014029022-A1 FLUORINATED EPOXYKETONE-BASED TETRAPEPTIDE COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS SLASSI ABDELMALIK (CA) 2014-02-27 WO disclosed
WO-2014026282-A1 FLUORINATED EPOXYKETONE-BASED COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS SLASSI ABDELMALIK (CA) 2014-02-20 WO disclosed
US-8580759-B2 Anti-hepatitis C virus composition OSAKA UNIVERSITY (JP) 2013-11-12 US disclosed
EP-2351585-A1 ANTI-HEPATITIS C VIRUS COMPOSITION Osaka University (JP) 2011-08-03 EP disclosed
CN-102137682-A Anti-hepatitis c virus composition UNIV OSAKA 2011-07-27 CN disclosed
US-20110166203-A1 ANTI-HEPATITIS C VIRUS COMPOSITION OSAKA UNIVERSITY (JP) 2011-07-07 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-20160347792-A1 FLUORINATED EPOXYKETONE-BASED COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS PSMB5, PSMB1, PSMB7 CA12 4522/4885CA1 4216/4885CA9 4400/4885
US-20150218212-A1 FLUORINATED EPOXYKETONE-BASED TETRAPEPTIDE COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS PSMA1, PSMB1, PSMB11 CA12 4381/4885CA1 3627/4885CA9 4353/4885
US-20150203534-A1 FLUORINATED EPOXYKETONE-BASED COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS PSMB5, PSMB1, PSMB7 CA12 4499/4885CA1 4220/4885CA9 4397/4885

“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.