SCHEMBL2548417

SCHEMBL2548417

CC(C)(C)OC(=O)NC[C@@H](N)CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.58
CTSS P25774 3/20 0.58
SYK P43405 1/20 0.53
ATM Q13315 1/20 0.47
SIGMAR1 Q99720 3/20 0.46
IDO1 P14902 1/20 0.46
MASP2 O00187 2/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
F2 P00734 1/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
ANPEP P15144 2/20 0.43
ERAP1 Q9NZ08 2/20 0.43
ERAP2 Q6P179 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
SCHEMBL2548413 1.00 CTSK (0.58) CTSKCTSSSYKATMSIGMAR1
SCHEMBL3604545 0.86 MMP2 (0.58) CTSKCTSSSYKATMIDO1
SCHEMBL2548981 0.86 MMP2 (0.58) CTSKCTSSSYKATMIDO1
SCHEMBL2548977 0.86 MMP2 (0.58) CTSKCTSSSYKATMIDO1
SCHEMBL8239858 0.85 CTSK (0.56) CTSKCTSSSYKATMSIGMAR1
SCHEMBL23699285 0.84 CTSK (0.55) CTSKCTSSSYKATMSIGMAR1
SCHEMBL23699373 0.82 SYK (0.54) CTSKCTSSSYKATMSIGMAR1
SCHEMBL18085403 0.80 CTSK (0.54) CTSKCTSSSYKATMSIGMAR1
SCHEMBL8175909 0.80 SYK (0.48) CTSKCTSSSYKATM
SCHEMBL4343821 0.79 MMP2 (0.51) MASP2F2ANPEPERAP1ERAP2

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
EP-2188282-B1 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-01-23 EP disclosed
US-20110263662-A1 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-27 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-20110263662-A1 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, OXTR CTSK 2646/4885CTSS 2250/4885SYK 4170/4885

“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.