SCHEMBL615204

SCHEMBL615204

Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@]3(C)NC(=O)CCC3=O)ccc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
PSMB9 P28065 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 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
SCHEMBL19305830 0.86 TDP1 (0.49) TDP1KDM4EALDH1A1HPGDRAB9A
SCHEMBL7132691 0.84 OPRM1 (0.51) TDP1OPRM1OPRD1OPRK1KDM4E
SCHEMBL3321719 0.84 KDM4E (0.44) TDP1OPRM1OPRD1OPRK1KDM4E
SCHEMBL366333 0.84 TACR1 (0.51) PSMB9
SCHEMBL29442429 0.83 FKBP4 (0.48) TDP1OPRM1OPRD1OPRK1KDM4E
SCHEMBL8205946 0.82 ACE (0.50) OPRM1PSMB9ALDH1A1
SCHEMBL29543702 0.79 FKBP4 (0.47) OPRM1OPRD1OPRK1KDM4EALDH1A1
SCHEMBL7641458 0.79 XIAP (0.44) OPRM1OPRD1OPRK1PSMB9
SCHEMBL2029990 0.78 TACR1 (0.52) OPRM1PSMB9
SCHEMBL6044127 0.77 TACR1 (0.49) PSMB9

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660507-B2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME MILLENNIUM PHARM INC (US) 2017-01-04 EP disclosed
WO-2016201528-A1 TREATMENT OF INFLAMMATION AND/OR CANCER THE COUNCIL OF THE QUEENSLAND INSTITUTE OF MEDICAL RESEARCH (AU) 2016-12-22 WO disclosed
US-9233115-B2 Proteasome inhibitors and methods of using the same MILLENNIUM PHARMACEUTICALS INC. (US) 2016-01-12 US disclosed
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same CEPHALON, INC. (US) 2014-03-27 US disclosed
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-8546608-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2013-10-01 US disclosed
US-8283367-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2012-10-09 US disclosed
US-8158655-B2 Chymase inhibitors; to treat allergic, inflammatory and fibrotic diseases; 5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonic acid (4-bromo-2-trifluoromethyl-phenyl)-amide HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same CEPHALON, INC. (US) 2012-02-16 US disclosed
US-8058262-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2011-11-15 US disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-7223745-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2007-05-29 US disclosed
US-20070016970-A1 Guinea pig-chymase HOFFMANN-LA ROCHE INC. 2007-01-18 US disclosed
EP-1743904-A2 Guinea pig chymase F. HOFFMANN-LA ROCHE AG (CH) 2007-01-17 EP disclosed
US-20060189806-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2006-08-24 US disclosed
WO-2006086600-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2006-08-17 WO disclosed
EP-1658255-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2006-05-24 EP disclosed
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 US disclosed
US-20050059636-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. 2005-03-17 US disclosed
WO-2005016859-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2005-02-24 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 (5 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-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 TDP1 1150/4885OPRM1 4758/4885OPRD1 4540/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 TDP1 1150/4885OPRM1 4758/4885OPRD1 4540/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 TDP1 1150/4885OPRM1 4758/4885OPRD1 4540/4885
US-20060189806-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 TDP1 1146/4885OPRM1 4764/4885OPRD1 4555/4885
US-20050059636-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 TDP1 1150/4885OPRM1 4758/4885OPRD1 4540/4885

“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.