SCHEMBL5828562

SCHEMBL5828562

CC(C)[Si](C(C)C)(C(C)C)n1ccc(C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.37
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 3/20 0.34
HCAR2 Q8TDS4 2/20 0.34
NAPRT Q6XQN6 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
HPGDS O60760 1/20 0.33
ALKBH2 Q6NS38 1/20 0.33
DAO P14920 1/20 0.32
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
JMJD6 Q6NYC1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL2207069 0.71 KDM4E (0.46) KMT2ATSHRHPGDHCAR2ALDH1A1
SCHEMBL15559838 0.71 TSHR (0.39) HCAR3KMT2ATSHRTP53HPGD
SCHEMBL17656535 0.69 PKM (0.38) KMT2ATP53HPGDALDH1A1SMN1; SMN2
SCHEMBL860388 0.68 CNR1 (0.30) CNR1
SCHEMBL18527308 0.68 CNR1 (0.30) CNR1
SCHEMBL4559390 0.68 TYR (0.36) ALDH1A1CNR1KDM4E
SCHEMBL369526 0.67
SCHEMBL22305472 0.67 NR4A1 (0.40) KMT2ATSHRTP53HPGDNAPRT
SCHEMBL25691915 0.67 AKR1B1 (0.42) HCAR3KMT2AHCAR2KDM4E
Hydrochloric Acid SCHEMBL11715676 0.66 TSHR (0.42) KMT2ATSHRTP53HPGDNAPRT

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 HCAR3 2982/4885KMT2A 4870/4885TSHR 2947/4885
US-20020045199-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HSP90B1, HSPBP1, PLPBP HCAR3 2982/4885KMT2A 4870/4885TSHR 2947/4885
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 HCAR3 3189/4885KMT2A 4868/4885TSHR 2920/4885
US-20020146428-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HSP90B1, HSPBP1, PLPBP HCAR3 2982/4885KMT2A 4870/4885TSHR 2947/4885

“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.