SCHEMBL4598233

SCHEMBL4598233

CC(C)(C)OC(=O)N1Cc2ncccc2CC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.41
POLB P06746 3/20 0.41
HDAC8 Q9BY41 4/20 0.41
CHEK1 O14757 1/20 0.40
JAK2 O60674 1/20 0.40
PTPN1 P18031 2/20 0.40
GPR119 Q8TDV5 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4597855 0.90 HDAC8 (0.43) ACEPOLBHDAC8PTPN1GPR119
SCHEMBL21744540 0.88 PTPN1 (0.53) POLBHDAC8PTPN1GPR119MAPK1
SCHEMBL14097936 0.87 PTPN1 (0.53) POLBHDAC8PTPN1KDM4E
SCHEMBL7237746 0.83 GPR119 (0.38) HDAC8PTPN1GPR119MEN1KMT2A
SCHEMBL2080858 0.82 ACE (0.59) ACEPOLBHDAC8CHEK1JAK2
SCHEMBL66871 0.82 ACE (0.59) ACEPOLBHDAC8CHEK1JAK2
SCHEMBL14067913 0.82 ACE (0.59) ACEPOLBHDAC8CHEK1JAK2
SCHEMBL29707284 0.82 ACE (0.59) ACEPOLBHDAC8CHEK1JAK2
SCHEMBL66872 0.82 ACE (0.59) ACEPOLBHDAC8CHEK1JAK2
SCHEMBL29401053 0.82 ACE (0.59) ACEPOLBHDAC8CHEK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417144-B2 e.g. 1-Methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,5-dicarboxylic acid 5-[(4-chloro-phenyl)-amide]4-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenyl]-amide}; anticoagulant, antiinflammatory agent; thrombosis, peripheral arterial occlusive disease, stroke, arteriosclerosis, bypass grafting HOFFMAN-LA ROCHE INC. (US) 2008-08-26 US disclosed
EP-1907388-A1 NOVEL HETEROARYL FUSED CYCLIC AMINES F. Hoffmann-Roche AG (CH) 2008-04-09 EP disclosed
WO-2007009883-A1 NOVEL HETEROARYL FUSED CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO disclosed
US-20070015812-A1 Factor Xa inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-01-18 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-20070015812-A1 Factor Xa inhibitors F12, F11, F2 ACE 470/4885POLB 3801/4885HDAC8 1659/4885

“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.