SCHEMBL609044

SCHEMBL609044

CC(C)C[C@H](NCc1ccccc1N)[C@@H](O)CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ PSMB5 P28074 2/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ REN P00797 4/20 0.35
▸ FDPS P14324 1/20 0.35
▸ ANPEP P15144 1/20 0.35
▸ LAP3 P28838 1/20 0.35
▸ RCE1 Q9Y256 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34

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
SCHEMBL27773780 1.00 KDM4E (0.36) KDM4EHPGDALDH1A1HTTBACE1
SCHEMBL31003034 0.82 PSMB5 (0.48) ALDH1A1BACE1PSMB5MMP8REN
SCHEMBL939400 0.74 LMNA (0.45) HPGDALDH1A1PSMB5MMP8REN
SCHEMBL16569135 0.74 LMNA (0.45) HPGDALDH1A1PSMB5MMP8REN
SCHEMBL5494415 0.71 HPGD (0.38) HPGDBACE1PSMB5RENANPEP
SCHEMBL31692789 0.71 CACNA2D1 (0.40) —
SCHEMBL29885722 0.70 CACNA2D1 (0.42) ALDH1A1
SCHEMBL31633387 0.70 METAP2 (0.41) HTTPSMB5RENANPEPLAP3
SCHEMBL5843971 0.70 ALDH1A1 (0.42) KDM4EHPGDALDH1A1MMP8RCE1
SCHEMBL9193585 0.70 LMNA (0.38) KDM4EALDH1A1BACE1RENANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106635994-A Culture medium additive for preparing autophagosomes-type tumor vaccine and preparing method thereof 东南大学 2017-05-10 — — CN claimed
EP-2509949-B1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIV GEORGIA (US) 2014-04-23 — — EP claimed
US-20210361683-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MUSCLE CONTRACTURES CHILDRENS HOSPITAL MED CT (US) 2021-11-25 — — US disclosed
EP-3801581-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MUSCLE CONTRACTURES Children's Hospital Medical Center (US) 2021-04-14 — — EP disclosed
US-10662180-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-05-26 — — US disclosed
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-08-02 — — US disclosed
US-9878999-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-01-30 — — US disclosed
EP-1660507-B2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME MILLENNIUM PHARM INC (US) 2017-01-04 — — EP 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
US-20140073650-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-03-13 — — US disclosed
US-7223745-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2007-05-29 — — US 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-1660507-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2006-05-31 — — EP 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-2005021558-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2005-03-10 — — WO 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 (7 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-10662180-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs PSMB3, PSME3, PSMD3 KDM4E 2332/4885HPGD 3647/4885ALDH1A1 4471/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 KDM4E 1703/4885HPGD 3107/4885ALDH1A1 3935/4885
US-20140073650-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS PSMB3, PSME3, PSMD3 KDM4E 2332/4885HPGD 3647/4885ALDH1A1 4471/4885
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS PSMB3, PSME3, PSMD3 KDM4E 2332/4885HPGD 3647/4885ALDH1A1 4471/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 KDM4E 1703/4885HPGD 3107/4885ALDH1A1 3935/4885
US-20060189806-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 KDM4E 1640/4885HPGD 3103/4885ALDH1A1 3902/4885
US-20050059636-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 KDM4E 1703/4885HPGD 3107/4885ALDH1A1 3935/4885

“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.

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