SCHEMBL6081433

SCHEMBL6081433

CCCCS(=O)(=O)Nc1ccc(CCNC(=O)c2cc3cc(O)ccc3cc2O)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(CCNC(=O)c3cc4cc(O)ccc4cc3O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.51
GSK3B P49841 2/20 0.50
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
ADRB2 P07550 3/20 0.43
ADRB1 P08588 3/20 0.43
ADRB3 P13945 3/20 0.43
MAOA P21397 1/20 0.43
PKM P14618 1/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
POLA1 P09884 1/20 0.41

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
SCHEMBL1917291 0.92 KDM1A (0.60) KDM1AGSK3BALDH1A1MEN1KMT2A
SCHEMBL1919215 0.92 POLA1 (0.47) GSK3BADRB2ADRB1ADRB3AKR1B10
SCHEMBL6080767 0.88 GSK3B (0.47) GSK3BADRB2ADRB1ADRB3AKR1B10
SCHEMBL1918211 0.83 SYK (0.56) KDM1AGSK3BALDH1A1ADRB2ADRB1
SCHEMBL1917801 0.83 GSK3B (0.53) KDM1AGSK3BMEN1KMT2AAKR1B10
SCHEMBL6080869 0.82 POLB (0.55) KDM1AGSK3BMEN1KMT2AMAPT
SCHEMBL1918062 0.81 KDM1A (0.55) KDM1AGSK3BALDH1A1MEN1KMT2A
SCHEMBL1918574 0.81 CA12 (0.49) KDM1AGSK3BMEN1KMT2AMAPT
SCHEMBL1918691 0.79 GSK3B (0.55) GSK3BAKR1B10AKR1B1POLA1
SCHEMBL6080527 0.78 CA1 (0.52) GSK3BALDH1A1CA12CA1CA2

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 KDM1A 1445/4885GSK3B 491/4885ALDH1A1 1528/4885

“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.