SCHEMBL3395972

SCHEMBL3395972

CCOC(=O)c1c(-c2ccc(Oc3ccccc3F)cc2)oc2cc([N+](=O)[O-])c(OS(=O)(=O)C(F)(F)F)cc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.50
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 5/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
PRNP P04156 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL2299438 0.92 PTGS2 (0.49) PTGS2KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL1919590 0.90 MEN1 (0.44) PTGS2KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL3398857 0.86 PTGS2 (0.51) PTGS2KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL2298446 0.86 ALOX5 (0.53) PTGS2KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL6119754 0.86 MEN1 (0.44) PTGS2KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL6119663 0.84 MEN1 (0.44) PTGS2KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL2297507 0.81 L3MBTL1 (0.38) ALDH1A1L3MBTL1TP53MAPTMEN1
SCHEMBL2297483 0.78 PTGS2 (0.50) PTGS2KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL12940204 0.77 PTGS2 (0.55) PTGS2KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL13457553 0.77 MEN1 (0.48) PTGS2KDM4EALDH1A1HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245023-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2011-12-28 EP disclosed
US-8071797-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-12-06 US disclosed
EP-2245023-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009101022-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 WO disclosed
US-20090208449-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2009-08-20 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-20090208449-A1 Heterocyclic antiviral compounds EIF2AK2, HCCS, RTF2 PTGS2 2072/4885KDM4E 2068/4885ALDH1A1 742/4885

“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.