SCHEMBL5552883

SCHEMBL5552883

CC(C)C[C@H](CC(=O)O)C(=O)NC(C(=O)NCc1ccccn1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 1/20 0.51
MMP9 P14780 4/20 0.49
MMP8 P22894 3/20 0.49
MMP2 P08253 2/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.47
RAB9A P51151 1/20 0.47
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
MMP14 P50281 1/20 0.47
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HTT P42858 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
SCHEMBL5558617 0.92 MMP9 (0.60) GPR88SMN1; SMN2MAPK1MMP9MMP8
SCHEMBL5556468 0.92 MMP9 (0.60) GPR88SMN1; SMN2MAPK1MMP9MMP8
SCHEMBL5556464 0.92 MMP9 (0.60) GPR88SMN1; SMN2MAPK1MMP9MMP8
SCHEMBL5556562 0.86 MMP9 (0.60) GPR88MMP9MMP8MMP2MMP1
SCHEMBL5556556 0.86 MMP9 (0.60) GPR88MMP9MMP8MMP2MMP1
SCHEMBL5552039 0.84 MMP2 (0.42) GPR88SMN1; SMN2MAPK1MMP9MMP8
SCHEMBL5556498 0.82 SMN1; SMN2 (0.42) SMN1; SMN2MAPK1MMP9MMP8MMP2
SCHEMBL5552841 0.82 MMP9 (0.56) MMP9MMP8MMP2MMP1MMP3
SCHEMBL5556423 0.80 MMP9 (0.52) MMP9MMP8MMP2MMP1MMP3
SCHEMBL5552675 0.80 MMP9 (0.46) MMP9MMP8MMP2MMP1MMP3

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-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 US disclosed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 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-20070197577-A1 Inhibitors of anthrax lethal factor APAF1, ANTXR2, LITAF GPR88 3262/4885SMN1; SMN2 4310/4885MAPK1 2402/4885

“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.