SCHEMBL1455709

SCHEMBL1455709

CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.54
MAPT P10636 4/20 0.50
PTGS1 P23219 3/20 0.49
MEN1 O00255 2/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CDK8 P49336 1/20 0.48
CDK7 P50613 1/20 0.48
CDK6 Q00534 1/20 0.48
BRAF P15056 4/20 0.47
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
PLAT P00750 1/20 0.47
KDR P35968 5/20 0.47
MAPK14 Q16539 5/20 0.47
TNNI3K Q59H18 2/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL1454431 0.91 TRPV1 (0.50) MAPTPTGS1MAPK1BRAFKIT
SCHEMBL1454986 0.89 NAMPT (0.47) MAPTMEN1KMT2ASMN1; SMN2CDK8
SCHEMBL1455827 0.87 NAMPT (0.47) MAPTMEN1HTTKMT2AMAPK1
SCHEMBL1455972 0.87 HDAC3 (0.46) RXFP1MAPTPTGS1MAPK1BRAF
SCHEMBL1454267 0.84 NPC1 (0.47) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL1453961 0.83 NAMPT (0.46) MAPTMEN1KMT2ABRAF
SCHEMBL1454865 0.83 TLR8 (0.44) RXFP1MAPTPTGS1SMN1; SMN2BRAF
SCHEMBL1455064 0.83 PGR (0.43) MAPTBRAFLMNA
SCHEMBL1455846 0.83 PTGS1 (0.52) RXFP1MAPTPTGS1MEN1KMT2A
SCHEMBL1456027 0.83 KCNK3 (0.48) RXFP1MAPTMEN1KMT2AGAA

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-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 RXFP1 4616/4885MAPT 1347/4885PTGS1 2132/4885

“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.