SCHEMBL15099889

SCHEMBL15099889

COC(=O)c1ccc(-c2ccc(C(=O)OC)cc2O)c(O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.77
CA2 P00918 5/20 0.77
CA12 O43570 4/20 0.77
CA7 P43166 4/20 0.77
CA9 Q16790 4/20 0.77
CA14 Q9ULX7 4/20 0.77
XDH P47989 2/20 0.77
KDM4E B2RXH2 3/20 0.63
LMNA P02545 3/20 0.63
TDP1 Q9NUW8 2/20 0.63
GAA P10253 2/20 0.63
POLB P06746 1/20 0.63
NFKB1 P19838 1/20 0.63
GFER P55789 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
FUT7 Q11130 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MAPT P10636 3/20 0.61
HPGD P15428 3/20 0.61

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
SCHEMBL10034770 0.91 CA12 (0.65) CA1CA2CA12CA7CA9
SCHEMBL18822001 0.88 EGFR (0.73) CA1CA2CA12CA7CA9
Methyl Protocatechuate SCHEMBL38624 0.87 CA1 (1.00) CA1CA2CA12CA7CA9
Methyl Protocatechuate SCHEMBL29360855 0.87 CA1 (1.00) CA1CA2CA12CA7CA9
SCHEMBL408614 0.86 XDH (0.59) CA1CA2CA12CA7CA9
SCHEMBL14832783 0.85 EGFR (0.79) CA1CA2CA12CA7CA9
SCHEMBL68289 0.84 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL69304 0.84 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL410169 0.83 CA12 (0.56) CA1CA2CA12CA7CA9
SCHEMBL30809635 0.83 CA1 (0.71) CA1CA2CA12CA7CA9

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-8822520-B2 Substituted bicyclic HCV inhibitors PRESIDIO PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-20130178507-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2013-07-11 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-20130178507-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS HAVCR2, LIPC, EIF2AK2 CA1 4869/4885CA2 4781/4885CA12 4354/4885

“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.