SCHEMBL5828861

SCHEMBL5828861

OCCO[C@@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](O)[C@H]1O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.51
▸ LGALS8 O00214 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ PDE4D Q08499 1/20 0.44
▸ MGMT P16455 2/20 0.43
▸ HRAS P01112 1/20 0.42
▸ GJB2 P29033 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
SCHEMBL5828864 1.00 SLC6A2 (0.51) SLC6A2LGALS8MAOBPDE4DMGMT
SCHEMBL7195901 0.87 SLC6A2 (0.51) SLC6A2LGALS8PDE4DHRASGJB2
SCHEMBL7596317 0.87 SLC6A2 (0.51) SLC6A2LGALS8PDE4DHRASGJB2
SCHEMBL7596323 0.87 SLC6A2 (0.51) SLC6A2LGALS8PDE4DHRASGJB2
SCHEMBL16149142 0.87 SLC6A2 (0.47) SLC6A2LGALS8GJB2
SCHEMBL7069950 0.85 LGALS8 (0.57) SLC6A2LGALS8HRAS
SCHEMBL23758907 0.83 SLC6A2 (0.55) SLC6A2LGALS8PDE4DGJB2
SCHEMBL18733413 0.83 SLC6A2 (0.58) SLC6A2LGALS8PDE4D
SCHEMBL20671069 0.83 SLC6A2 (0.55) SLC6A2LGALS8PDE4DGJB2
SCHEMBL6553513 0.83 SLC6A2 (0.55) SLC6A2LGALS8PDE4DGJB2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962791-B2 Treatment or prophylaxis of diseases caused by pilus-forming bacteria WASHINGTON UNIVERSITY (US) 2005-11-08 — — US claimed
EP-0730601-B1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS UNIV WASHINGTON (US) 2004-07-14 — — EP claimed
US-20030224468-A1 By interacting with periplasmic molecular chaperones the assembly of pili is prevented or inhibited and thereby the infectivity of the bacteria is diminished HULTGREN SCOTT (US) 2003-12-04 — — US claimed
US-20030198992-A1 By interacting with periplasmic molecular chaperones so the assemlbly of pili is prevented or inhibited and thereby the infectivity of the bacteria is diminished; used in drug design HULTGREN SCOTT (US) 2003-10-23 — — US claimed
US-20020146428-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HULTGREN SCOTT (US) 2002-10-10 — — US claimed
US-6420127-B1 PREVENTION OF MICROORGANISMAL INFECTIONS; OBTAIN MEMBRANES, INCUBATE WITH MODULATORS, MONITOR MICROORGANISMAL INFECTIONS WASHINGTON UNIVERSITY 2002-07-16 — — US claimed
US-20020045199-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HULTGREN SCOTT (US) 2002-04-18 — — US claimed
US-20020034774-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HULTGREN SCOTT (US) 2002-03-21 — — US claimed
US-7025971-B2 Treatment or prophylaxis of diseases caused by pilus-forming bacteria WASHINGTON UNIVERSITY (US) 2006-04-11 — — US disclosed
US-6962791-B2 Treatment or prophylaxis of diseases caused by pilus-forming bacteria WASHINGTON UNIVERSITY (US) 2005-11-08 — — US disclosed
US-6872542-B1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria SIGA PHARMACEUTICALS, INC. (US) 2005-03-29 — — US disclosed
EP-0730601-B1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS UNIV WASHINGTON (US) 2004-07-14 — — EP disclosed
US-20030224468-A1 By interacting with periplasmic molecular chaperones the assembly of pili is prevented or inhibited and thereby the infectivity of the bacteria is diminished HULTGREN SCOTT (US) 2003-12-04 — — US disclosed
US-20030198992-A1 By interacting with periplasmic molecular chaperones so the assemlbly of pili is prevented or inhibited and thereby the infectivity of the bacteria is diminished; used in drug design HULTGREN SCOTT (US) 2003-10-23 — — US disclosed
US-20020146428-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HULTGREN SCOTT (US) 2002-10-10 — — US disclosed
US-6420127-B1 PREVENTION OF MICROORGANISMAL INFECTIONS; OBTAIN MEMBRANES, INCUBATE WITH MODULATORS, MONITOR MICROORGANISMAL INFECTIONS WASHINGTON UNIVERSITY 2002-07-16 — — US disclosed
US-20020045199-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HULTGREN SCOTT (US) 2002-04-18 — — US disclosed
US-20020034774-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HULTGREN SCOTT (US) 2002-03-21 — — US disclosed
US-6153396-A DRUG SCREENING BY ADDING COMPOUND TO MIXTURE OF CHAPERONE AND PILUS SUBUNIT AND DETERMINING THE CHANGE IN BINDING; BACTERICIDES FOR URINARY TRACT INFECTIONS SIGA PHARMACEUTICALS, INC. (US) 2000-11-28 — — US disclosed
US-6001823-A NOVEL PYRANOSIDES WHICH ARE BELIEVED TO BE CAPABLE OF INTERACTING WITH PERIPLASMIC MOLECULAR CHAPERONES WASHINGTON UNIVERSITY 1999-12-14 — — 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 (4 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-20020034774-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HSP90B1, HSPBP1, PLPBP SLC6A2 3235/4885LGALS8 3210/4885MAOB 2625/4885
US-20020045199-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HSP90B1, HSPBP1, PLPBP SLC6A2 3235/4885LGALS8 3210/4885MAOB 2625/4885
US-20030224468-A1 By interacting with periplasmic molecular chaperones the assembly of pili is prevented or inhibited and thereby the infectivity of the bacteria is diminished HSP90B1, HSPBP1, HSPB1 SLC6A2 3583/4885LGALS8 2815/4885MAOB 3285/4885
US-20020146428-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HSP90B1, HSPBP1, PLPBP SLC6A2 3235/4885LGALS8 3210/4885MAOB 2625/4885

“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.

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