SCHEMBL5869282

SCHEMBL5869282

CC(C)C[C@H](N[C@@H](CNC(=O)c1cccc2ccccc12)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
PLK1 P53350 1/20 0.47
CASP1 P29466 1/20 0.45
HDAC8 Q9BY41 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MMP3 P08254 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 3/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
PGGT1B P53609 1/20 0.44
ANPEP P15144 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 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
SCHEMBL5869294 1.00 BACE1 (0.47) BACE1PLK1CASP1HDAC8SMN1; SMN2
SCHEMBL7581664 1.00 BACE1 (0.47) BACE1PLK1CASP1HDAC8SMN1; SMN2
SCHEMBL5869277 1.00 BACE1 (0.47) BACE1PLK1CASP1HDAC8SMN1; SMN2
SCHEMBL5869651 0.88 HPGD (0.48) BACE1PLK1CASP1HDAC8SMN1; SMN2
SCHEMBL5869668 0.88 HPGD (0.48) BACE1PLK1CASP1HDAC8SMN1; SMN2
SCHEMBL5869660 0.88 HPGD (0.48) BACE1PLK1CASP1HDAC8SMN1; SMN2
SCHEMBL8255635 0.85 PLK1 (0.47) PLK1HDAC8SMN1; SMN2MMP3MEN1
SCHEMBL6244622 0.83 CASP1 (0.57) BACE1PLK1CASP1FNTAFNTB
SCHEMBL6244616 0.83 CASP1 (0.57) BACE1PLK1CASP1FNTAFNTB
SCHEMBL16866255 0.81 PLK1 (0.60) BACE1PLK1HDAC8SMN1; SMN2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 BACE1 610/4885PLK1 1578/4885CASP1 3944/4885

“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.