SCHEMBL6080767

SCHEMBL6080767

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.47
POLA1 P09884 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SYK P43405 2/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL1919215 0.96 POLA1 (0.47) GSK3BPOLA1ADRB2ADRB1ADRB3
SCHEMBL1918691 0.91 GSK3B (0.55) GSK3BPOLA1SYKAKR1B10AKR1B1
SCHEMBL6081433 0.88 KDM1A (0.51) GSK3BPOLA1ADRB2ADRB1ADRB3
SCHEMBL6081263 0.86 GSK3B (0.51) GSK3BPOLA1SYKAKR1B10AKR1B1
SCHEMBL6080527 0.85 CA1 (0.52) GSK3BPOLA1CA12CA1CA2
SCHEMBL1919226 0.81 SYK (0.51) GSK3BPOLA1ADRB2ADRB1ADRB3
SCHEMBL1917291 0.78 KDM1A (0.60) GSK3BPOLA1ADRB2ADRB1ADRB3
Butane SCHEMBL5179499 0.77 POLA1 (0.55) POLA1KDM4ESYKAKR1B10AKR1B1
SCHEMBL1918211 0.76 SYK (0.56) GSK3BPOLA1ADRB2ADRB1ADRB3
SCHEMBL1917801 0.76 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 1114/4885ADRB2 4387/4885

“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.