SCHEMBL4908604

SCHEMBL4908604

CNS(=O)(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 7/20 0.70
ALDH1A1 P00352 5/20 0.70
PTGS1 P23219 3/20 0.70
PTGS2 P35354 3/20 0.70
CYP2C9 P11712 2/20 0.70
HSD17B10 Q99714 2/20 0.70
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
BLVRB P30043 2/20 0.64
PDE4A P27815 1/20 0.64
KDR P35968 1/20 0.64
HTT P42858 1/20 0.64
TSHR P16473 2/20 0.62
HRH3 Q9Y5N1 2/20 0.62
HPGD P15428 2/20 0.62
ABCC3 O15438 1/20 0.62
ABCC4 O15439 1/20 0.62
USP2 O75604 1/20 0.62
SLCO2B1 O94956 1/20 0.62
CA1 P00915 1/20 0.62

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
SCHEMBL4908605 1.00 PHLPP2 (0.70) PHLPP2ALDH1A1PTGS1PTGS2CYP2C9
SCHEMBL2825786 0.84 ALDH1A1 (0.62) PHLPP2ALDH1A1PTGS1PTGS2CYP2C9
SCHEMBL3161638 0.83 PHLPP2 (0.65) PHLPP2ALDH1A1PTGS1PTGS2CYP2C9
SCHEMBL4337123 0.83 PHLPP2 (0.65) PHLPP2ALDH1A1PTGS1PTGS2CYP2C9
SCHEMBL11159188 0.83 ALDH1A1 (0.71) PHLPP2ALDH1A1PTGS1PTGS2CYP2C9
SCHEMBL3160549 0.83 PHLPP2 (0.65) PHLPP2ALDH1A1PTGS1PTGS2CYP2C9
SCHEMBL11159193 0.83 ALDH1A1 (0.71) PHLPP2ALDH1A1PTGS1PTGS2CYP2C9
SCHEMBL497248 0.83 PHLPP2 (0.65) PHLPP2ALDH1A1PTGS1PTGS2CYP2C9
SCHEMBL4398148 0.83 PHLPP2 (0.65) PHLPP2ALDH1A1PTGS1PTGS2CYP2C9
SCHEMBL14596773 0.82 PHLPP2 (0.78) PHLPP2ALDH1A1PTGS1PTGS2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090788-A1 Chemical Compounds UNIVERSITY OF SOUTHAMPTON (GB) 2008-04-17 US claimed
EP-1835900-A1 SULFASALAZINE ANALOGUES AS NF-KB INHIBITORS UNIVERSITY OF SOUTHAMPTON (GB) 2007-09-26 EP claimed
WO-2006072783-A1 SULFASALAZINE ANALOGUES AS NF-KB INHIBITORS UNIVERSITY OF SOUTHAMPTON (GB) 2006-07-13 WO claimed
US-20080090788-A1 Chemical Compounds UNIVERSITY OF SOUTHAMPTON (GB) 2008-04-17 US disclosed
US-20080090788-A1 Chemical Compounds UNIVERSITY OF SOUTHAMPTON (GB) 2008-04-17 US disclosed
US-20080090788-A1 Chemical Compounds UNIVERSITY OF SOUTHAMPTON (GB) 2008-04-17 US disclosed
EP-1835900-A1 SULFASALAZINE ANALOGUES AS NF-KB INHIBITORS UNIVERSITY OF SOUTHAMPTON (GB) 2007-09-26 EP disclosed
WO-2006072783-A1 SULFASALAZINE ANALOGUES AS NF-KB INHIBITORS UNIVERSITY OF SOUTHAMPTON (GB) 2006-07-13 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-20080090788-A1 Chemical Compounds NFRKB, NFKB2, NFKBIA PHLPP2 2650/4885ALDH1A1 3562/4885PTGS1 21/4885

“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.