SCHEMBL3170341

SCHEMBL3170341

CCS(=O)(=O)NCCCCCCCC(N)=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CA2 P00918 3/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA1 P00915 2/20 0.41
SOAT1 P35610 2/20 0.41
FAAH O00519 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
RELA Q04206 4/20 0.40
PPARA Q07869 2/20 0.39
CNR2 P34972 1/20 0.39
FABP4 P15090 1/20 0.39
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL3165524 1.00 MEN1 (0.43) MEN1KMT2ACA2CA12CA7
SCHEMBL1722670 0.92 MEN1 (0.42) MEN1KMT2ACA2CA12CA7
SCHEMBL16371370 0.85 RELA (0.45) MEN1KMT2ACA2CA12CA7
SCHEMBL609321 0.84 FABP4 (0.54) MEN1KMT2APPARAFABP4
SCHEMBL606553 0.84 FABP4 (0.54) MEN1KMT2APPARAFABP4
SCHEMBL13840434 0.82 FABP4 (0.56) MEN1KMT2APPARAFABP4
SCHEMBL5327919 0.79 HDAC6 (0.54) CA2CA12CA7CA9CA14
SCHEMBL11600832 0.78 CYP1A2 (0.47) KMT2ACA2CA12CA7CA9
SCHEMBL1703654 0.76 PPARA (0.64) MEN1KMT2ACA2CA12CA7
SCHEMBL7691833 0.76 PPARA (0.64) MEN1KMT2ACA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1660507-B9 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-03-24 EP 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
EP-1658255-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2009-02-18 EP disclosed
US-7223745-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2007-05-29 US 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 (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-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 MEN1 2324/4885KMT2A 2266/4885CA2 2765/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 MEN1 2324/4885KMT2A 2266/4885CA2 2765/4885
US-20050059636-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 MEN1 2324/4885KMT2A 2266/4885CA2 2765/4885

“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.