SCHEMBL810401

SCHEMBL810401

CC(Oc1ccc(Sc2ccc(NC(=O)OC(C)(C)C)cc2)c(N)c1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
RORC P51449 2/20 0.38
LIPE Q05469 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX5 P09917 1/20 0.36
MAP4K4 O95819 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL811427 0.85 HTT (0.48) AURKAAURKBALDH1A1MEN1GAA
SCHEMBL810853 0.82 RAB9A (0.51) AURKAAURKBALDH1A1MEN1TP53
SCHEMBL1456097 0.82 MEN1 (0.42) AURKAAURKBALDH1A1LMNAMEN1
SCHEMBL1456099 0.82 MEN1 (0.42) AURKAAURKBALDH1A1LMNAMEN1
SCHEMBL810621 0.80 CYP2D6 (0.43) ALDH1A1LMNAMEN1TP53KMT2A
SCHEMBL13305748 0.79 MAP4K4 (0.53) AURKAAURKBALDH1A1LMNAKDM4E
SCHEMBL1455451 0.76 KDM4E (0.65) AURKAAURKBALDH1A1LMNAMEN1
SCHEMBL15912554 0.75 MAPT (0.51) AURKAAURKBALDH1A1LMNATP53
SCHEMBL810370 0.75 SIRT2 (0.49) SIRT2
SCHEMBL4379394 0.74 NPC1 (0.45) ALDH1A1LMNATP53KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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 (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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 AURKA 2172/4885AURKB 2041/4885ALDH1A1 2723/4885

“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.