SCHEMBL536993

SCHEMBL536993

CC(COCCCO)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CYP2D6 P10635 1/20 0.40
CTSK P43235 11/20 0.40
CTSS P25774 5/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 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
SCHEMBL38659918 1.00 TDP1 (0.45) TDP1CA1CA2CA7CYP2D6
SCHEMBL2114161 1.00 TDP1 (0.45) TDP1CA1CA2CA7CYP2D6
SCHEMBL22405809 0.90 CA1 (0.46) TDP1CA1CA2CA7CYP2D6
SCHEMBL22405880 0.90 CA1 (0.46) TDP1CA1CA2CA7CYP2D6
SCHEMBL22405806 0.90 CA1 (0.46) TDP1CA1CA2CA7CYP2D6
SCHEMBL26048947 0.86 CTSK (0.48) CA1CA2CA7CTSKCTSS
SCHEMBL19084258 0.85 CA1 (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL22405505 0.83 CA2 (0.45) CA1CA2CA7CYP2D6CTSK
SCHEMBL22405504 0.83 CA2 (0.45) CA1CA2CA7CYP2D6CTSK
SCHEMBL22405773 0.83 CA2 (0.45) CA1CA2CA7CYP2D6CTSK

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-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 US disclosed
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-04-19 US disclosed
EP-2414349-A1 3-Ý1,4¨OXAZEPANE-4-PYRIMIDONE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-08 EP disclosed
WO-2010114179-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-07 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-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES PSEN1, MAPT, PSEN2 TDP1 538/4885CA1 2943/4885CA2 2121/4885

“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.