SCHEMBL1325938

SCHEMBL1325938

CCCC[C@H](CC)CCC(N)=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.66
CYP3A4 P08684 5/20 0.50
ALDH1A1 P00352 4/20 0.50
TSHR P16473 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
CA1 P00915 2/20 0.50
ATM Q13315 1/20 0.50
MEN1 O00255 2/20 0.42
TP53 P04637 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 2/20 0.42
FAAH O00519 1/20 0.42
SOAT1 P35610 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL1325935 1.00 CA2 (0.66) CA2CYP3A4ALDH1A1TSHRTDP1
SCHEMBL11483943 0.94 CA2 (0.58) CA2CYP3A4ALDH1A1TSHRTDP1
SCHEMBL8515069 0.94 CA2 (0.62) CA2CYP3A4ALDH1A1TSHRTDP1
SCHEMBL29048845 0.93 CA2 (0.58) CA2CYP3A4ALDH1A1TSHRTDP1
SCHEMBL26218280 0.92 CA2 (0.56) CA2CYP3A4ALDH1A1TSHRTDP1
SCHEMBL14836357 0.92 CA2 (0.60) CA2CYP3A4ALDH1A1TSHRTDP1
SCHEMBL28155829 0.91 CA2 (0.53) CA2CYP3A4ALDH1A1TSHRTDP1
SCHEMBL28212273 0.90 CA2 (0.55) CA2CYP3A4ALDH1A1TSHRTDP1
SCHEMBL13127898 0.90 CA2 (0.58) CA2CYP3A4ALDH1A1TSHRTDP1
SCHEMBL11663150 0.90 CA2 (0.58) CA2CYP3A4ALDH1A1TSHRTDP1

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 16 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
US-7915236-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2011-03-29 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
EP-1660507-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2006-05-31 EP claimed
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 US claimed
WO-2005021558-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2005-03-10 WO claimed
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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 CA2 2765/4885CYP3A4 3988/4885ALDH1A1 3935/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 CA2 2765/4885CYP3A4 3988/4885ALDH1A1 3935/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 CA2 2765/4885CYP3A4 3988/4885ALDH1A1 3935/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 CA2 2765/4885CYP3A4 3988/4885ALDH1A1 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.