SCHEMBL5828709

SCHEMBL5828709

CC(C)N(C(C)C)P(OCl)Oc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
CA4 P22748 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LTA4H P09960 1/20 0.30
TSHR P16473 1/20 0.30
NSD2 O96028 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
TLR9 Q9NR96 1/20 0.30
MAOA P21397 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL379025 0.88 CA4 (0.37) LMNACA4KDM4ELTA4HTSHR
SCHEMBL21178018 0.76 CA4 (0.37) LMNACA4KDM4ELTA4HTSHR
SCHEMBL23750741 0.73 MAOA (0.35) LMNACA4KDM4ELTA4HTSHR
SCHEMBL27474 0.72 ALDH1A1 (0.34) LMNA
SCHEMBL10703485 0.68
SCHEMBL5318307 0.66 LTA4H (0.41) CA4LTA4HTSHRMAOA
SCHEMBL2497300 0.66 TSHR (0.41) LMNACA4LTA4HTSHRNSD2
SCHEMBL25197295 0.65 CA4 (0.42) LMNACA4KDM4ELTA4HTSHR
SCHEMBL80897 0.64 TSHR (0.41) LMNALTA4HTSHRMAOA
Bromide SCHEMBL25203008 0.63 CA4 (0.40) LMNACA4KDM4ELTA4HTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6596504-B2 Preventing, inhibiting or enhancing binding between at least one type of pilus subunit and at least one type of periplasmic molecular chaperone in the pilus-forming bacteria for therapy or prophylaxis of diseases WASHINGTON UNIVERSITY 2003-07-22 US disclosed
US-6548265-B2 Preventing, inhibiting or enhancing binding between pilus subunits and periplasmic molecular chaperone WASHINGTON UNIVERSITY 2003-04-15 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
EP-0730601-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS WASHINGTON UNIVERSITY (US) 1996-09-11 EP disclosed
WO-1995014028-A9 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS 1995-08-10 WO disclosed
WO-1995014028-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS WASHINGTON UNIVERSITY (US) 1995-05-26 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 (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 LMNA 3006/4885CA4 4702/4885KDM4E 4847/4885
US-20020045199-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HSP90B1, HSPBP1, PLPBP LMNA 3006/4885CA4 4702/4885KDM4E 4847/4885
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 LMNA 3336/4885CA4 4781/4885KDM4E 4839/4885
US-20020146428-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HSP90B1, HSPBP1, PLPBP LMNA 3006/4885CA4 4702/4885KDM4E 4847/4885

“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.