SCHEMBL2289667

SCHEMBL2289667

COc1ncc2ccc(F)c(C(CO)CNC(=O)OC(C)(C)C)c2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.34
PCSK9 Q8NBP7 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
GRM2 Q14416 1/20 0.33
MTNR1A P48039 8/20 0.32
MTNR1B P49286 8/20 0.32
HTR2C P28335 6/20 0.32
EGFR P00533 1/20 0.32
AURKB Q96GD4 1/20 0.32
GFER P55789 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SYK P43405 2/20 0.32
STK17B O94768 1/20 0.32
STK17A Q9UEE5 1/20 0.32
SERPINE1 P05121 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
CKS1B P61024 1/20 0.32

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
SCHEMBL2292775 0.91 SCN9A (0.36) SCN9AALOX5APFEN1L3MBTL1STK17B
SCHEMBL1711953 0.87 MTNR1A (0.39) SCN9APCSK9GRM2MTNR1AMTNR1B
SCHEMBL2292765 0.85 ROCK2 (0.36) SCN9A
SCHEMBL2287233 0.85 SCN9A (0.34) SCN9APCSK9ALOX5APFEN1L3MBTL1
SCHEMBL1724180 0.79 KCNH2 (0.43) SCN9AKCNH2
SCHEMBL1711943 0.78 MTNR1A (0.42) SCN9AMTNR1AMTNR1BHTR2CL3MBTL1
SCHEMBL1712060 0.75 MTNR1A (0.40) SCN9APCSK9MTNR1AMTNR1BHTR2C
SCHEMBL1712486 0.73 MTNR1A (0.39) SCN9APCSK9MTNR1AMTNR1BHTR2C
SCHEMBL15707804 0.71 KCNH2 (0.41) SCN9AMTNR1AMTNR1BKCNH2
SCHEMBL1712057 0.71 PTGS2 (0.38) SCN9AMTNR1AMTNR1B

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-8618092-B2 Tricyclic oxazolidinone antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-31 US disclosed
US-20110195961-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-11 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-20110195961-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS HRH3, OXA1L, HRH1 SCN9A 458/4885PCSK9 1965/4885ALOX5AP 3914/4885

“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.