SCHEMBL5686285

SCHEMBL5686285

O=C(O)c1ccc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.76
CHEK2 O96017 12/20 0.67
MMP2 P08253 1/20 0.66
MMP9 P14780 1/20 0.66
MMP8 P22894 1/20 0.66
MMP13 P45452 1/20 0.66
NR4A2 P43354 1/20 0.62
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
KMT2A Q03164 1/20 0.59
SCD O00767 2/20 0.57
NPBWR1 P48145 1/20 0.56
MPL P40238 1/20 0.55

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
SCHEMBL490323 0.90 HDAC6 (0.86) HDAC6CHEK2SCDNPBWR1
SCHEMBL30884657 0.86 HDAC6 (0.94) HDAC6CHEK2SCDNPBWR1
Ensulizole SCHEMBL38724 0.86 HDAC6 (1.00) HDAC6CHEK2KDM4EALDH1A1HPGD
Ensulizole SCHEMBL7751558 0.86 HDAC6 (1.00) HDAC6CHEK2KDM4EALDH1A1HPGD
Ensulizole SCHEMBL1276071 0.85 HDAC6 (0.97) HDAC6CHEK2KDM4EALDH1A1HPGD
Ensulizole SCHEMBL17351654 0.85 HDAC6 (0.97) HDAC6CHEK2KDM4EALDH1A1HPGD
Ensulizole SCHEMBL28708898 0.85 HDAC6 (0.97) HDAC6CHEK2KDM4EALDH1A1HPGD
SCHEMBL5219768 0.84 NR4A2 (0.83) HDAC6CHEK2MMP2MMP9MMP8
SCHEMBL20982511 0.84 MMP2 (0.78) HDAC6CHEK2MMP2MMP9MMP8
SCHEMBL5178280 0.84 HDAC6 (0.84) HDAC6CHEK2KDM4EALDH1A1HPGD

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
EP-1690855-B1 Composition comprising phenylene-bis-benzimidazol-tetrasulfonic acid disodium salt SYMRISE AG (DE) 2014-01-22 EP claimed
EP-1690855-B1 Composition comprising phenylene-bis-benzimidazol-tetrasulfonic acid disodium salt SYMRISE AG (DE) 2014-01-22 EP disclosed
EP-1690855-A1 Process for the preparation of phenylene-bis-benzimidazol-tetrasulfonic acid disodium salt Symrise GmbH & Co. KG (DE) 2006-08-16 EP disclosed
EP-1339697-B1 METHOD FOR PRODUCING A PHENYLENE-BIS-BENZIMIDAZOLE-TETRASULFONIC ACID DISODIUM SALT SYMRISE GMBH & CO KG (DE) 2006-03-22 EP disclosed
US-6730795-B2 REACTING O-PHENYLENE-DIAMINE WITH TEREPHTHALIC ACID AND CHLOROSULFONIC ACID IN THE PRESENCE OF STRONG ACIDS TO PRODUCE PHENYLENE-BIS-BENZIMIDAZOLE- TETRASULFONIC ACID DI-SODIUM SALT SYMRISE GMBH & CO. KG (DE) 2004-05-04 US disclosed
EP-1339697-A1 METHOD FOR PRODUCING A PHENYLENE-BIS-BENZIMIDAZOLE-TETRASULFONIC ACID DISODIUM SALT HAARMANN & REIMER GMBH (DE) 2003-09-03 EP disclosed
US-20020082429-A1 Process for the preparation of phenylene-bis-benzimidazole-tetrasulfonic acid disodium salt SYMRISE AG (DE) 2002-06-27 US disclosed
WO-2002044155-A1 METHOD FOR PRODUCING A PHENYLENE-BIS-BENZIMIDAZOLE-TETRASULFONIC ACID DISODIUM SALT HAARMANN & REIMER GMBH (DE) 2002-06-06 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-20020082429-A1 Process for the preparation of phenylene-bis-benzimidazole-tetrasulfonic acid disodium salt TST, FHIT, NISCH HDAC6 605/4885CHEK2 1620/4885MMP2 4290/4885

“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.