SCHEMBL1712460

SCHEMBL1712460

COc1cnc2ccc(F)c([C@@H](CO)NC(=O)OC(C)(C)C)c2n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
S1PR3 Q99500 1/20 0.35
ROCK2 O75116 5/20 0.34
ROCK1 Q13464 5/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
KCNH2 Q12809 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL1712457 1.00 TRPA1 (0.36) TRPA1S1PR3ROCK2ROCK1KDM4E
SCHEMBL15707645 0.92 KCNH2 (0.40) KCNH2
SCHEMBL1712763 0.87 TRPA1 (0.33) TRPA1S1PR3KDM4EALDH1A1HPGD
SCHEMBL1712765 0.87 TRPA1 (0.33) TRPA1S1PR3KDM4EALDH1A1HPGD
SCHEMBL1712057 0.85 PTGS2 (0.38) ROCK2ROCK1KDM4EALDH1A1HPGD
SCHEMBL2291901 0.85 TRPA1 (0.36) TRPA1ROCK2ROCK1KDM4EALDH1A1
SCHEMBL1712463 0.82 KCNH2 (0.37) KDM4EKCNH2
SCHEMBL1711908 0.82 KDM4E (0.39) KDM4EALDH1A1HPGDPTPN1
SCHEMBL1712708 0.82 KDM4E (0.39) KDM4EALDH1A1HPGDPTPN1
SCHEMBL2292765 0.81 ROCK2 (0.36) TRPA1S1PR3ROCK2ROCK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822114-B2 Tricyclic oxazolidinone antibiotic compounds IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-21 US disclosed
US-20160237088-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2016-08-18 US disclosed
US-9346804-B2 Tricyclic oxazolidinone antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2016-05-24 US disclosed
EP-2344495-B1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2014-12-31 EP disclosed
US-20140142093-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2014-05-22 US disclosed
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
EP-2344495-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2011-07-20 EP disclosed
WO-2010041194-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-15 WO 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 (3 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 TRPA1 4060/4885S1PR3 1962/4885ROCK2 4034/4885
US-20160237088-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS H1-3, HRH3, HRH4 TRPA1 4112/4885S1PR3 2338/4885ROCK2 3827/4885
US-20140142093-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS OXA1L, H1-3, NGLY1 TRPA1 3880/4885S1PR3 2433/4885ROCK2 3611/4885

“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.