SCHEMBL609330

SCHEMBL609330

CC(C)C[CH]NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)Cc1ccccc1I

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
FOLH1 Q04609 1/20 0.32
MCHR1 Q99705 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
REN P00797 1/20 0.31
TGM2 P21980 5/20 0.31
NPY1R P25929 2/20 0.30
NPY2R P49146 1/20 0.30
NPY4R P50391 1/20 0.30
NPY5R Q15761 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL608001 0.88 POLB (0.41) POLBMEN1KMT2ATGM2NPY1R
SCHEMBL609331 0.88 CYP2C19 (0.45) CYP2C19POLBMEN1KMT2AITGA4
SCHEMBL605461 0.85 POLB (0.31) CYP2C19POLBTGM2NPY1RNPY2R
SCHEMBL605295 0.84 KMT2A (0.43) MEN1KMT2ANPY1RNPY2RNPY4R
SCHEMBL3169859 0.84 PSMB5 (0.43)
SCHEMBL606111 0.83 LMNA (0.44) CYP2C19KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL607898 0.83 ALDH1A1 (0.41) CYP2C19KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL606566 0.83 LMNA (0.42) CYP2C19KMT2ACYP1A2CYP2C9NPY1R
SCHEMBL607275 0.83 HPGD (0.46) CYP2C19MEN1KMT2ACYP1A2CYP2D6
SCHEMBL606441 0.83 CTSL (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same CEPHALON, INC. (US) 2011-06-16 US claimed
EP-1660507-B9 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-03-24 EP claimed
US-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2009-11-26 US claimed
EP-1660507-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2009-08-05 EP claimed
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 US claimed
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-8546608-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2013-10-01 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
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same CEPHALON, INC. (US) 2011-06-16 US disclosed
US-7915236-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2011-03-29 US disclosed
EP-1660507-B9 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-03-24 EP disclosed
US-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2009-11-26 US disclosed
US-7576206-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2009-08-18 US disclosed
EP-1660507-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2009-08-05 EP disclosed
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 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 (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-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME PSMB11, PSMB5, PSMB6 CYP2C19 4493/4885POLB 829/4885MEN1 2324/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 CYP2C19 4493/4885POLB 829/4885MEN1 2324/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 CYP2C19 4493/4885POLB 829/4885MEN1 2324/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 CYP2C19 4493/4885POLB 829/4885MEN1 2324/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 CYP2C19 4493/4885POLB 829/4885MEN1 2324/4885

“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.