SCHEMBL13880656

SCHEMBL13880656

COc1cc(S(=O)(=O)CCOS(=O)(=O)O)c(C)cc1/N=N/c1cc(S(=O)(=O)O)c2ccccc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 2/20 0.47
MPL P40238 4/20 0.42
SENP2 Q9HC62 3/20 0.42
SENP1 Q9P0U3 3/20 0.42
SUMO2 P61956 2/20 0.42
SUMO1 P63165 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP3 Q9H4L4 2/20 0.42
THRB P10828 3/20 0.41
MAPT P10636 3/20 0.41
PTPN1 P18031 2/20 0.41
APP P05067 2/20 0.41
SNCA P37840 2/20 0.41
CYP1A2 P05177 1/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
RECQL P46063 2/20 0.39
BLM P54132 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL13744288 0.86 BRD4 (0.43) PHLPP2MPLSENP2SENP1SUMO2
SCHEMBL14388769 0.79 SLC7A11 (0.50) MPLSENP2SENP1SUMO2SUMO1
SCHEMBL11138059 0.78 PTPN1 (0.36) PHLPP2SENP2SENP1SUMO2SUMO1
SCHEMBL11138056 0.78 PTPN1 (0.36) PHLPP2SENP2SENP1SUMO2SUMO1
SCHEMBL13743964 0.77 BRD4 (0.44) PHLPP2SENP2SENP1SUMO2SUMO1
SCHEMBL11670548 0.77 PTPN1 (0.35) PHLPP2SENP2SENP1SUMO2SUMO1
SCHEMBL11670541 0.77 PTPN1 (0.35) PHLPP2SENP2SENP1SUMO2SUMO1
SCHEMBL334052 0.77 PHLPP2 (0.58) PHLPP2MPLSENP2SENP1SUMO2
SCHEMBL110002 0.77 PHLPP2 (0.58) PHLPP2MPLSENP2SENP1SUMO2
SCHEMBL29566193 0.77 PHLPP2 (0.58) PHLPP2MPLSENP2SENP1SUMO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes BASF SE (DE) 2009-04-16 US disclosed
US-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes BASF SE (DE) 2009-04-16 US disclosed
WO-2007063024-A2 KERATIN-BINDING EFFECTOR MOLECULES CONTAINING REACTIVE DYES BASF SE (DE) 2007-06-07 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-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes KRT18, KLK3, KLKB1 PHLPP2 1011/4885MPL 4870/4885SENP2 3702/4885

“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.