SCHEMBL5406686

SCHEMBL5406686

CC(C)(C)OC(=O)NCCCNC(=O)C=C[C@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.45
CTSK P43235 4/20 0.45
FPR2 P25090 8/20 0.44
CTSB P07858 2/20 0.43
CTSL P07711 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
PAX8 Q06710 1/20 0.41
ACE P12821 1/20 0.41
SUCNR1 Q9BXA5 2/20 0.41
IDO1 P14902 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL5406676 1.00 CTSS (0.45) CTSSCTSKFPR2CTSBCTSL
SCHEMBL5406477 1.00 CTSS (0.45) CTSSCTSKFPR2CTSBCTSL
SCHEMBL5406492 1.00 CTSS (0.45) CTSSCTSKFPR2CTSBCTSL
SCHEMBL5406485 1.00 CTSS (0.45) CTSSCTSKFPR2CTSBCTSL
SCHEMBL5411531 0.96 CTSS (0.46) CTSSCTSKFPR2CTSBCTSL
SCHEMBL5411541 0.96 CTSS (0.46) CTSSCTSKFPR2CTSBCTSL
SCHEMBL5411545 0.96 CTSS (0.46) CTSSCTSKFPR2CTSBCTSL
SCHEMBL8297903 0.88 FPR2 (0.45) FPR2
SCHEMBL5403771 0.87 FPR2 (0.46) CTSSFPR2IDO1MAPK1
SCHEMBL5403766 0.87 FPR2 (0.46) CTSSFPR2IDO1MAPK1

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-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 CTSS 3490/4885CTSK 4240/4885FPR2 3048/4885

“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.