SCHEMBL6692777

SCHEMBL6692777

CCC[C@H](NC(=O)C(CSCc1ccccc1)Nc1ncc([N+](=O)[O-])s1)C(O)c1nc2ccccc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 10/20 0.38
CDK2 P24941 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
HIPK4 Q8NE63 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 1/20 0.34
TNF P01375 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34

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
SCHEMBL6631266 1.00 ATG4B (0.38) ATG4BCDK2GSK3AGSK3BDYRK1A
SCHEMBL6631267 1.00 ATG4B (0.38) ATG4BCDK2GSK3AGSK3BDYRK1A
SCHEMBL6630077 0.83 ATG4B (0.44) ATG4BCDK2GSK3AGSK3BDYRK1A
SCHEMBL5424294 0.79 HDAC3 (0.37) MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5424298 0.79 HDAC3 (0.37) MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL6630097 0.75 MEN1 (0.54) ATG4BCDK2GSK3AGSK3BDYRK1A
SCHEMBL6630094 0.75 MEN1 (0.54) ATG4BCDK2GSK3AGSK3BDYRK1A
SCHEMBL6630842 0.73 MEN1 (0.44) ATG4BCDK2GSK3AGSK3BDYRK1A
SCHEMBL6061605 0.73 MEN1 (0.44) ATG4BCDK2GSK3AGSK3BDYRK1A
SCHEMBL6630288 0.69 FAAH (0.38) MAPTRAB9ANPC1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE ATG4B 62/4885CDK2 1010/4885GSK3A 2825/4885

“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.