SCHEMBL606557

SCHEMBL606557

CC(C)C[CH]NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)CCSc1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.41
CTSB P07858 1/20 0.41
CASP1 P29466 2/20 0.40
CASP3 P42574 2/20 0.40
CASP7 P55210 2/20 0.40
CASP6 P55212 2/20 0.40
CASP8 Q14790 2/20 0.40
CNR2 P34972 2/20 0.37
SIRT5 Q9NXA8 2/20 0.34
PLA2G2A P14555 2/20 0.33
PLA2G10 O15496 1/20 0.33
ELANE P08246 2/20 0.32
HPGD P15428 3/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
NPY4R P50391 1/20 0.32

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
SCHEMBL607708 0.92 CASP1 (0.39) CAPN1CTSBCASP1CASP3CASP7
SCHEMBL606558 0.89 CASP1 (0.42) CAPN1CTSBCASP1CASP3CASP7
SCHEMBL606613 0.86 CCKBR (0.40) CASP1CASP3ELANENPY5R
SCHEMBL12754534 0.85 CASP1 (0.42) CAPN1CTSBCASP1CASP3CASP7
SCHEMBL607275 0.84 HPGD (0.46) CASP1CASP3CASP7CNR2HPGD
SCHEMBL607810 0.83 FNTA (0.33) NPY1RNPY2RNPY4RNPY5R
SCHEMBL607898 0.83 ALDH1A1 (0.41) HPGDALDH1A1LMNASMN1; SMN2
SCHEMBL606111 0.83 LMNA (0.44) HPGDALDH1A1LMNASMN1; SMN2
SCHEMBL606566 0.83 LMNA (0.42) HPGDALDH1A1LMNASMN1; SMN2NPY1R
SCHEMBL608001 0.83 POLB (0.41) CTSBHPGDALDH1A1NPY1R

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 15 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
EP-1660507-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2009-08-05 EP 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 CAPN1 181/4885CTSB 303/4885CASP1 265/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 CAPN1 181/4885CTSB 303/4885CASP1 265/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 CAPN1 181/4885CTSB 303/4885CASP1 265/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 CAPN1 181/4885CTSB 303/4885CASP1 265/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 CAPN1 181/4885CTSB 303/4885CASP1 265/4885

“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.