SCHEMBL2200318

SCHEMBL2200318

COCC(=O)C(C(=O)COC)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 2/20 0.33
CA14 Q9ULX7 2/20 0.33
HPGD P15428 2/20 0.32
MAPT P10636 2/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL20931300 0.95 CA1 (0.39) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL23803859 0.89 CA1 (0.36) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL1549425 0.80 NPSR1 (0.36) CA1CA2CA12CA9NPSR1
SCHEMBL11028631 0.78 CA1 (0.38) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL1663158 0.78 SMN1; SMN2 (0.39) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL2202426 0.77 SMN1; SMN2 (0.40) CA1CA2CA12SMN1; SMN2TSHR
SCHEMBL30871595 0.76 CA1 (0.37) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL2440432 0.76 ZDHHC7 (0.38) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL3525495 0.76 CA1 (0.37) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL16610683 0.75 CA1 (0.39) CA1CA2CA12CA9SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 CA1 3220/4885CA2 815/4885CA12 3274/4885

“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.