SCHEMBL3170791

SCHEMBL3170791

CCCCCCCCSCCC(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.53
TP53 P04637 2/20 0.53
GMNN O75496 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
CYP2C9 P11712 1/20 0.53
BLM P54132 1/20 0.53
HSD17B10 Q99714 1/20 0.53
FAAH O00519 5/20 0.52
SOAT1 P35610 2/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
EPHX1 P07099 1/20 0.48
CES1 P23141 7/20 0.47
KDM4E B2RXH2 2/20 0.47
PLA2G6 O60733 1/20 0.47

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
SCHEMBL14157749 1.00 CES2 (0.53) CES2TP53GMNNPOLBMAPT
SCHEMBL9313907 1.00 CES2 (0.53) CES2TP53GMNNPOLBMAPT
SCHEMBL8589375 1.00 CES2 (0.53) CES2TP53GMNNPOLBMAPT
SCHEMBL5069976 1.00 CES2 (0.53) CES2TP53GMNNPOLBMAPT
SCHEMBL10339731 0.98 CES2 (0.50) CES2TP53GMNNPOLBMAPT
SCHEMBL7747844 0.94 FAAH (0.59) CES2TP53GMNNPOLBMAPT
SCHEMBL9324927 0.94 FAAH (0.59) CES2TP53GMNNPOLBMAPT
SCHEMBL8464759 0.94 FAAH (0.59) CES2TP53GMNNPOLBMAPT
SCHEMBL14166874 0.94 FAAH (0.59) CES2TP53GMNNPOLBMAPT
SCHEMBL9860515 0.94 FAAH (0.59) CES2TP53GMNNPOLBMAPT

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
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
JP-59190960-A None JP 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
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
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 US disclosed
JP-S59190960-A 3-ALKYL OR ALKYLENETHIOPROPIONIC ACID AMIDE BASED COMPOUND AND ANTIOXIDANT AND SLIP AGENT FOR ORGANIC BASE MATERIAL CONTAINING THE SAME AS MAIN COMPONENT NIPPON YUNIKAA KK 1984-10-29 JP 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 (2 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 CES2 3258/4885TP53 123/4885GMNN 1121/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 CES2 3258/4885TP53 123/4885GMNN 1121/4885

“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.