SCHEMBL4477937

SCHEMBL4477937

CCOC(=O)C(C(=O)OCC)c1c(F)cc(O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.46
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
CA7 P43166 6/20 0.46
CA9 Q16790 6/20 0.46
CA14 Q9ULX7 6/20 0.46
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MMP8 P22894 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HPGD P15428 1/20 0.35
PTPN11 Q06124 1/20 0.35
PIN1 Q13526 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL1477896 0.87 MAPT (0.39) CA12CA1CA2CA7CA9
SCHEMBL23944802 0.87 MMP8 (0.42) CA12CA1CA2CA7CA9
SCHEMBL23925490 0.84 LMNA (0.40) CA12CA1CA2CA7CA9
SCHEMBL23944803 0.84 MMP8 (0.37) CA12CA1CA2CA7CA9
SCHEMBL16071069 0.83 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL1462180 0.83 CYP3A4 (0.43) CYP3A4TDP1SMN1; SMN2MMP8HPGD
SCHEMBL5042392 0.81 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL5040747 0.81 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL23925394 0.80 GPR35 (0.43) SMN1; SMN2MMP8KDM4EGAA
Malonic Acid Diethyl Ester SCHEMBL8019960 0.80 GAA (0.47) TDP1MMP8KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507739-B2 6-[(substituted)phenyl]triazolopyrimidines as anticancer agents WYETH (US) 2009-03-24 US disclosed
EP-1680425-B1 6- [(SUBSTITUTED)PHENYL] TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH CORP (US) 2007-01-10 EP disclosed
EP-1680425-A1 6- [(SUBSTITUTED)PHENYL] TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS Wyeth Holdings Corporation (US) 2006-07-19 EP disclosed
US-20050090508-A1 6-[(Substituted)phenyl]triazolopyrimidines as anticancer agents WYETH HOLDINGS CORPORATION (US) 2005-04-28 US disclosed
WO-2005030775-A1 6-[(SUBSTITUTED)PHENYL]TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH HOLDINGS CORPORATION (US) 2005-04-07 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-20050090508-A1 6-[(Substituted)phenyl]triazolopyrimidines as anticancer agents ABCC1, ABCB1, TUBB6 CA12 4762/4885CA1 4648/4885CA2 2612/4885

“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.