SCHEMBL4574096

SCHEMBL4574096

CC(C)CCNNOC(=O)C(=O)ONNCCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.35
RNPEP Q9H4A4 2/20 0.35
DNPEP Q9ULA0 2/20 0.35
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 2/20 0.33
CA1 P00915 2/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
NPC1 O15118 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL283077 0.75 MMP2 (0.38) MMP2L3MBTL1HDAC3HDAC8LMNA
SCHEMBL360168 0.71 MMP8 (0.37) ANPEPRNPEPDNPEPRAB9ASMN1; SMN2
SCHEMBL28071405 0.69 LMNA (0.35) ANPEPRNPEPDNPEPRAB9ASMN1; SMN2
SCHEMBL55208 0.69 MGAM (0.32) GAA
SCHEMBL8338774 0.68 HDAC3 (0.40) ANPEPRNPEPDNPEPRAB9ASMN1; SMN2
SCHEMBL14198294 0.65 LMNA (0.40) SMN1; SMN2GAAMMP8HDAC3HDAC8
SCHEMBL1756668 0.65
SCHEMBL4569621 0.64 MEN1 (0.45) GAACA1
SCHEMBL15329188 0.64 CA14 (0.31)
SCHEMBL2824432 0.64 ANPEP (0.55) ANPEPRNPEPDNPEPRAB9ASMN1; SMN2

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
US-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES ANADYS PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
WO-2008144500-A2 1-METHYL-BENZO[1,2,4]THIADIAZINE, 1-OXIDE DERIVATIVES ANADYS PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
US-20080275032-A1 Pyridazinone compounds ANADYS PHARMACEUTICALS, INC. 2008-11-06 US disclosed
WO-2008082725-A1 PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
US-20080090814-A1 PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-04-17 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 (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-20080090814-A1 PYRIDAZINONE COMPOUNDS HAVCR2, PLPBP, CYP3A43 ANPEP 1147/4885RNPEP 1429/4885DNPEP 648/4885
US-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES CYP1B1, CYP2E1, DAZAP1 ANPEP 4440/4885RNPEP 4446/4885DNPEP 4098/4885
US-20080275032-A1 Pyridazinone compounds HAVCR2, PLPBP, CYP3A43 ANPEP 1147/4885RNPEP 1429/4885DNPEP 648/4885

“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.