SCHEMBL7466229

SCHEMBL7466229

CC(C)C[C@@H]([C]=O)NC(=O)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.51
CTSK P43235 1/20 0.51
KDM4E B2RXH2 4/20 0.50
HTT P42858 3/20 0.50
ALDH1A1 P00352 2/20 0.50
ACACB O00763 1/20 0.48
GFER P55789 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
EPHX2 P34913 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 1/20 0.43
ALPL P05186 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL7382806 0.85 KDM4E (0.47) PSMB5CTSKKDM4EHTTALDH1A1
SCHEMBL27543597 0.81 LONP1 (0.57) PSMB5KDM4EHTTSMN1; SMN2
SCHEMBL8764741 0.80 SMN1; SMN2 (0.48) PSMB5CTSKALDH1A1EPHX2SMN1; SMN2
SCHEMBL27482350 0.79 EGLN1 (0.46) KMT2ACNR2
SCHEMBL7463178 0.79 GRN (0.68) PSMB5SMN1; SMN2NPC1RAB9A
SCHEMBL27520524 0.78 P2RX7 (0.55) HTTKMT2A
SCHEMBL1607014 0.78 CTSB (0.56) PSMB5CTSKHTTALDH1A1SMN1; SMN2
SCHEMBL7466235 0.78 PSMB5 (0.51) PSMB5CTSKKDM4EHTTALDH1A1
SCHEMBL8742431 0.77 ALDH1A1 (0.54) CTSKALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL1106971 0.77 KDM4E (0.63) KDM4EHTTALDH1A1ACACBGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP claimed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 US claimed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP claimed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO claimed
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP disclosed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 US disclosed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP disclosed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 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 (1 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-20020065230-A1 Protease inhibitors PRSS1, DNPEP, CTSZ PSMB5 487/4885CTSK 22/4885KDM4E 984/4885

“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.