SCHEMBL4252579

SCHEMBL4252579

O=[N+]([O-])c1cccc(C(O)=S)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.56
TSHR P16473 3/20 0.52
TDP1 Q9NUW8 6/20 0.45
ALDH1A1 P00352 4/20 0.44
ALPL P05186 1/20 0.43
GAA P10253 2/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CTSD P07339 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
APEX1 P27695 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL4252583 1.00 GPR35 (0.56) GPR35TSHRTDP1ALDH1A1ALPL
SCHEMBL30893562 0.85 TSHR (0.68) GPR35TSHRTDP1ALDH1A1GAA
SCHEMBL3671 0.85 TSHR (0.68) GPR35TSHRTDP1ALDH1A1GAA
SCHEMBL8510920 0.84 GPR35 (0.55) GPR35TSHRTDP1ALDH1A1ALPL
Lithium Ion SCHEMBL7791976 0.83 TSHR (0.66) GPR35TSHRTDP1ALDH1A1GAA
SCHEMBL16267318 0.83 TSHR (0.66) GPR35TSHRTDP1ALDH1A1GAA
SCHEMBL10824707 0.83 TSHR (0.66) GPR35TSHRTDP1ALDH1A1GAA
SCHEMBL28208709 0.83 TSHR (0.66) GPR35TSHRTDP1ALDH1A1GAA
Potassium Ion SCHEMBL16267317 0.83 TSHR (0.66) GPR35TSHRTDP1ALDH1A1GAA
SCHEMBL7791983 0.83 TSHR (0.66) GPR35TSHRTDP1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090214547-A1 BINDING MEMBER TOWARDS PNEUMOLYSIN GENESTO A/S (DK) 2009-08-27 US disclosed
US-7378504-B2 Human monoclonal antibodies to Fc gamma receptor I (CD64) MEDAREX, INC. (US) 2008-05-27 US disclosed
US-20080095784-A1 Monospecific immunoglobulin for treating autoimmune, cell proliferative and transplant rejection disorders MEDAREX, INC. (US) 2008-04-24 US disclosed
CN-101061139-A Binding moieties for pneumolysin MEDAREX INC (DK) 2007-10-24 CN disclosed
EP-1791867-A2 BINDING MEMBER TOWARDS PNEUMOLYSIN GENESTO A/S (DK) 2007-06-06 EP disclosed
EP-1765870-A2 HUMAN MONOCLONAL ANTIBODIES TO FC GAMMA RECEPTOR I (CD64) Medarex, Inc. (US) 2007-03-28 EP disclosed
US-20070003561-A1 Binding member towards pneumococcus surface adhesin a protein (psaa) MEDAREX, INC. 2007-01-04 US disclosed
EP-1646654-A1 BINDING MEMBER TOWARDS PNEUMOCOCCUS SURFACE ADHESIN A PROTEIN (PsaA) GENESTO A/S (DK) 2006-04-19 EP disclosed
WO-2006021210-A2 BINDING MEMBER TOWARDS PNEUMOLYSIN GENESTO A/S (DK) 2006-03-02 WO disclosed
WO-2006002438-A2 HUMAN MONOCLONAL ANTIBODIES TO FC GAMMA RECEPTOR I (CD64) MEDAREX, INC. (US) 2006-01-05 WO disclosed
WO-2005003174-A1 BINDING MEMBER TOWARDS PNEUMOCOCCUS SURFACE ADHESIN A PROTEIN (PsaA) GENESTO A/S (DK) 2005-01-13 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-20090214547-A1 BINDING MEMBER TOWARDS PNEUMOLYSIN CD2BP2, C1QBP, CD47 GPR35 2996/4885TSHR 3667/4885TDP1 3167/4885

“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.