SCHEMBL5969833

SCHEMBL5969833

O=C([O-])Cc1ccc(F)cc1.[Cs+]

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
CTBP2 P56545 1/20 0.52
EGFR P00533 5/20 0.52
ERBB2 P04626 5/20 0.52
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
TDP1 Q9NUW8 2/20 0.48
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 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
Silver SCHEMBL4963388 0.95 GAA (0.53) GAACTBP2EGFRERBB2CA1
SCHEMBL31664355 0.95 GAA (0.53) GAACTBP2EGFRERBB2CA1
SCHEMBL30363672 0.95 CA1 (0.54) GAACTBP2EGFRERBB2CA1
SCHEMBL11578280 0.95 GAA (0.53) GAACTBP2EGFRERBB2CA1
SCHEMBL14813077 0.82 CA1 (0.50) GAACTBP2EGFRERBB2CA1
SCHEMBL4962898 0.81 ALDH1A1 (0.49) GAACTBP2EGFRERBB2POLB
SCHEMBL526194 0.80 GAA (0.57) GAACTBP2EGFRERBB2TDP1
SCHEMBL3871526 0.79 CTBP2 (0.60) GAACTBP2EGFRERBB2TDP1
SCHEMBL11185173 0.78 GAA (0.55) GAACTBP2EGFRERBB2TDP1
SCHEMBL104746 0.78 CA2 (0.62) GAACTBP2EGFRERBB2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128608-A1 Novel chemical compounds and their use BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2006-06-15 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-20060128608-A1 Novel chemical compounds and their use PGLS, ABCG2, UGCG GAA 241/4885CTBP2 4117/4885EGFR 3251/4885

“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.