SCHEMBL2493576

SCHEMBL2493576

CC(C)(C)OC(=O)CCC1(NC(=O)OCc2ccccc2)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.47
CTSL P07711 5/20 0.47
CTSB P07858 3/20 0.47
SYK P43405 1/20 0.44
CTSK P43235 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL13512970 0.84 HTT (0.51) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL2722714 0.84 SYK (0.54) CTSSCTSLCTSBSYKCTSK
SCHEMBL2722985 0.83 CTSL (0.54) CTSSCTSLCTSBSYKCTSK
SCHEMBL4549859 0.81 SYK (0.51) CTSSCTSLCTSBSYKCTSK
SCHEMBL3707986 0.81 SYK (0.46) CTSSCTSLCTSBSYKSMN1; SMN2
SCHEMBL6897899 0.79 HTT (0.54) CTSSCTSLCTSBSMN1; SMN2NPC1
SCHEMBL28032465 0.79 CTSS (0.54) CTSSCTSLCTSBCTSKNPC1
SCHEMBL7352450 0.79 CTSS (0.60) CTSSCTSLCTSBSYKCTSK
SCHEMBL14737847 0.79 SYK (0.56) CTSSCTSLCTSBSYKSMN1; SMN2
SCHEMBL25568624 0.78 SYK (0.50) CTSSCTSLCTSBSYKSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030489-B2 Ornithine derivative ASTELLAS PHARMA INC. (JP) 2011-10-04 US disclosed
US-20100216803-A1 ORNITHINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-08-26 US disclosed
EP-2141147-A1 ORNITHINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-01-06 EP 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-20100216803-A1 ORNITHINE DERIVATIVE PTGER4, OXER1, ODC1 CTSS 4049/4885CTSL 3240/4885CTSB 4089/4885

“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.