SCHEMBL2678435

SCHEMBL2678435

Nc1ccc2c(O)c(N=Nc3ccc4c(O)cc(S(=O)(=O)O)cc4c3)c(S(=O)(=O)O)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.64
NSD2 O96028 1/20 0.64
DUSP3 P51452 1/20 0.64
PTPN5 P54829 1/20 0.64
PTPN11 Q06124 1/20 0.64
ENPP2 Q13822 8/20 0.60
NT5E P21589 1/20 0.54
CD40 P25942 1/20 0.52
CD40LG P29965 1/20 0.52
CYP1A2 P05177 3/20 0.51
CTDSP1 Q9GZU7 1/20 0.49
PRMT1 Q99873 1/20 0.49
PHLPP2 Q6ZVD8 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CYP2C9 P11712 2/20 0.47
MAPK1 P28482 1/20 0.47
DNASE1L3 Q13609 1/20 0.47

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
SCHEMBL2678429 1.00 CASP6 (0.64) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL27100624 0.87 ENPP2 (0.60) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL10587918 0.87 ENPP2 (0.60) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL13474894 0.87 ENPP2 (0.60) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL29702431 0.87 ENPP2 (0.59) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL20735380 0.86 CD40 (0.61) ENPP2CD40CD40LGCYP1A2PRMT1
SCHEMBL29702399 0.86 ENPP2 (0.58) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL3823917 0.84 CASP6 (0.71) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL10625256 0.83 ENPP2 (0.67) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL8972293 0.83 PHLPP2 (0.53) CASP6NSD2DUSP3PTPN5PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8175860-B2 Method of inhibiting the growth of Helicobacter pylori NATIONAL TSING HUA UNIVERSITY (TW) 2012-05-08 US disclosed
US-20100305152-A1 METHOD OF INHIBITING THE GROWTH OF HELICOBACTER PYLORI NATIONAL TSING HUA UNIVERSITY (TW) 2010-12-02 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-20100305152-A1 METHOD OF INHIBITING THE GROWTH OF HELICOBACTER PYLORI HPD, HAAO, HK1 CASP6 4091/4885NSD2 4029/4885DUSP3 350/4885

“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.