SCHEMBL2292765

SCHEMBL2292765

COc1ncc2ccc(F)c([C@@H](CO)NC(=O)OC(C)(C)C)c2n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.36
ROCK1 Q13464 8/20 0.36
TRPA1 O75762 1/20 0.35
PTPN1 P18031 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
S1PR3 Q99500 1/20 0.34
SCN9A Q15858 1/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
PTPRB P23467 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 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
SCHEMBL2286538 0.87 AAK1 (0.33) TRPA1PTPN1AAK1S1PR3ALDH1A1
SCHEMBL1712057 0.86 PTGS2 (0.38) ROCK2ROCK1SCN9AALDH1A1POLB
SCHEMBL2289667 0.85 SCN9A (0.34) SCN9A
SCHEMBL2292775 0.82 SCN9A (0.36) SCN9AKDM4E
SCHEMBL1712460 0.81 TRPA1 (0.36) ROCK2ROCK1TRPA1PTPN1AAK1
SCHEMBL1712457 0.81 TRPA1 (0.36) ROCK2ROCK1TRPA1PTPN1AAK1
SCHEMBL2291901 0.79 TRPA1 (0.36) ROCK2ROCK1TRPA1AAK1SCN9A
SCHEMBL15707645 0.79 KCNH2 (0.40)
SCHEMBL2287233 0.78 SCN9A (0.34) AAK1SCN9AALDH1A1NPSR1KDM4E
SCHEMBL17446557 0.75 CTSS (0.48) ROCK2ROCK1SCN9AALDH1A1POLB

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 ROCK2 4034/4885ROCK1 3559/4885TRPA1 4060/4885

“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.