SCHEMBL4059562

SCHEMBL4059562

COC(=O)c1ccc(OC(C(C)=O)C(C)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 5/20 0.55
TDP1 Q9NUW8 1/20 0.52
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
STS P08842 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL1854840 0.81 KMT2A (0.66) CA1CA2MEN1KMT2AMAPT
SCHEMBL6548631 0.81 CA1 (0.64) CA1CA2MEN1KMT2AMAPT
SCHEMBL1853362 0.79 ALOX15 (0.62) CA1CA2MEN1KMT2AMAPT
SCHEMBL6285461 0.79 CA1 (0.62) CA1CA2MEN1KMT2AMAPT
SCHEMBL24943239 0.78 CA1 (0.60) CA1CA2MEN1KMT2AMAPT
SCHEMBL6616955 0.78 CA1 (0.60) CA1CA2MEN1KMT2AMAPT
SCHEMBL28993944 0.77 CA1 (0.80) CA1CA2MEN1KMT2AMAPT
SCHEMBL23600 0.77 CA1 (0.80) CA1CA2MEN1KMT2AMAPT
SCHEMBL7262172 0.76 CA1 (0.58) CA1CA2MEN1KMT2AMAPT
SCHEMBL4261434 0.76 MEN1 (0.71) CA1CA2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
WO-2009119880-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 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-20090270361-A1 Substituted pyrazole derivatives and use thereof CBR3, CBR1, NOX5 CA1 1148/4885CA2 270/4885MEN1 2774/4885

“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.