SCHEMBL6081263

SCHEMBL6081263

CS(=O)(=O)Nc1ccc(CCNC(=O)c2cc3cc(O)ccc3cc2O)cc1.Nc1ccc(CCNC(=O)c2cc3cc(O)ccc3cc2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.51
POLA1 P09884 1/20 0.48
SYK P43405 5/20 0.45
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45
ESRRB O95718 1/20 0.44
ESRRG P62508 1/20 0.44

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
SCHEMBL1918691 0.95 GSK3B (0.55) GSK3BPOLA1SYKAKR1B10AKR1B1
SCHEMBL6080527 0.91 CA1 (0.52) GSK3BPOLA1
SCHEMBL1919137 0.89 POLA1 (0.59) POLA1SYKAKR1B10AKR1B1ESRRB
SCHEMBL6080767 0.86 GSK3B (0.47) GSK3BPOLA1SYKAKR1B10AKR1B1
SCHEMBL1919215 0.82 POLA1 (0.47) GSK3BPOLA1SYKAKR1B10AKR1B1
SCHEMBL1917291 0.82 KDM1A (0.60) GSK3BPOLA1AKR1B10AKR1B1
SCHEMBL1918021 0.81 CA1 (0.57) POLA1AKR1B10AKR1B1
SCHEMBL1919226 0.80 SYK (0.51) GSK3BPOLA1SYKAKR1B10AKR1B1
SCHEMBL1918211 0.80 SYK (0.56) GSK3BPOLA1SYKAKR1B10AKR1B1
SCHEMBL1917801 0.80 GSK3B (0.53) GSK3BPOLA1SYKAKR1B10AKR1B1

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-20060154933-A1 Inhibitors of Cdc25 phosphatases SCRAS 2006-07-13 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-20060154933-A1 Inhibitors of Cdc25 phosphatases CDC25A, CDC25C, CDC25B GSK3B 491/4885POLA1 1114/4885SYK 254/4885

“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.