SCHEMBL2291901

SCHEMBL2291901

COc1nc2ccc(F)c([C@H](CO)NC(=O)OC(C)(C)C)c2nc1OC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
AAK1 Q2M2I8 1/20 0.36
CTSS P25774 3/20 0.35
CTSK P43235 3/20 0.35
ROCK2 O75116 5/20 0.35
ROCK1 Q13464 5/20 0.35
SCN9A Q15858 1/20 0.35
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
THRB P10828 1/20 0.34
PTPRB P23467 1/20 0.33

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
SCHEMBL1711831 0.86 ALDH1A1 (0.33) TRPA1ALDH1A1KDM4EHPGDAAK1
SCHEMBL1712457 0.85 TRPA1 (0.36) TRPA1ALDH1A1KDM4EHPGDAAK1
SCHEMBL1712460 0.85 TRPA1 (0.36) TRPA1ALDH1A1KDM4EHPGDAAK1
SCHEMBL1712057 0.82 PTGS2 (0.38) ALDH1A1KDM4EHPGDCTSSCTSK
SCHEMBL3349168 0.81 SERPINE1 (0.35) KDM4ECTSSCTSK
SCHEMBL15707645 0.81 KCNH2 (0.40)
SCHEMBL2292765 0.79 ROCK2 (0.36) TRPA1ALDH1A1KDM4EHPGDAAK1
SCHEMBL17446557 0.76 CTSS (0.48) ALDH1A1CTSSCTSKROCK2ROCK1
SCHEMBL25045663 0.75 ROCK2 (0.45) ALDH1A1HPGDAAK1CTSSCTSK
SCHEMBL2289801 0.74 HSD17B1 (0.32) TSHR

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 8 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
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 4060/4885ALDH1A1 3208/4885KDM4E 3061/4885
US-20160237088-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS H1-3, HRH3, HRH4 TRPA1 4112/4885ALDH1A1 3572/4885KDM4E 2290/4885
US-20140142093-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS OXA1L, H1-3, NGLY1 TRPA1 3880/4885ALDH1A1 3751/4885KDM4E 2854/4885

“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.