SCHEMBL7459752

SCHEMBL7459752

CC(C)C[C@@H]([C]=O)NC(=O)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.51
MMP3 P08254 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
CASP1 P29466 1/20 0.48
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BACE1 P56817 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ANPEP P15144 1/20 0.44
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
DEGS1 O15121 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
SCHEMBL8865631 0.81 PLK1 (0.54) PLK1MMP3HDAC8CASP1ALDH1A1
SCHEMBL8865083 0.81 PLK1 (0.54) PLK1MMP3HDAC8CASP1ALDH1A1
SCHEMBL27534283 0.80 MMP1 (0.52) HDAC8ALDH1A1MEN1KMT2ANPC1
SCHEMBL7561900 0.80 CCR1 (0.53) HDAC8MEN1KMT2ARAB9AANPEP
SCHEMBL6244622 0.80 CASP1 (0.57) PLK1CASP1BACE1ANPEP
SCHEMBL6244616 0.80 CASP1 (0.57) PLK1CASP1BACE1ANPEP
SCHEMBL7459754 0.78 CAPN1 (0.54) PLK1MMP3HDAC8CASP1ALDH1A1
SCHEMBL8737627 0.78 PLK1 (0.66) PLK1MMP3HDAC8ALDH1A1HPGD
SCHEMBL27869245 0.77 ANPEP (0.67) ALDH1A1MEN1KMT2AANPEP
SCHEMBL1607014 0.77 CTSB (0.56) ALDH1A1HPGDMEN1KMT2ARAB9A

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 PLK1 1829/4885MMP3 55/4885HDAC8 1225/4885

“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.