SCHEMBL5543981

SCHEMBL5543981

CC(C)(C)OC(=O)NCC(OCCO)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.46
CTSK P43235 4/20 0.46
CTSS P25774 3/20 0.46
IDO1 P14902 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5543932 0.88 SYK (0.46) SYKCTSKCTSSIDO1ATM
SCHEMBL31068513 0.87 SYK (0.45) SYKCTSKCTSSIDO1L3MBTL1
SCHEMBL5548756 0.84 SYK (0.45) SYKCTSKCTSSIDO1ATM
SCHEMBL14365126 0.84 CHRM1 (0.47) SYKCTSKCTSSIDO1ATM
Iodide SCHEMBL5543954 0.83 CHRM1 (0.49) SYKCTSKCTSSIDO1ATM
SCHEMBL7834971 0.83 CTSK (0.55) SYKCTSKCTSSIDO1ATM
SCHEMBL1520746 0.82 CTSK (0.49) SYKCTSKCTSSIDO1ATM
SCHEMBL5742834 0.78 CTSK (0.50) SYKCTSKCTSSIDO1ATM
SCHEMBL8468222 0.78 CTSS (0.50) SYKCTSKCTSSIDO1ATM
SCHEMBL19847664 0.77 CTSK (0.52) SYKCTSKCTSSIDO1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7301018-B2 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2007-11-27 US disclosed
US-7301018-B2 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2007-11-27 US disclosed
US-7301018-B2 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2007-11-27 US disclosed
US-20040142378-A1 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-07-22 US disclosed
US-20040031122-A1 Wiping device VALEO WISCHERSYSTEME GMBH (DE) 2004-02-19 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-20040142378-A1 Probe for mass spectrometry of liquid sample MRPS22, MRPS27, MRPS23 SYK 4185/4885CTSK 3047/4885CTSS 2818/4885

“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.