SCHEMBL1491955

SCHEMBL1491955

CC(=O)CCC(=O)O[C@@H]1[C@@H](OCc2ccccc2)[C@H](ON=[N+]=[N-])[C@@H](C)O[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.36
MTOR P42345 1/20 0.36
TNF P01375 1/20 0.35
LGALS8 O00214 1/20 0.33
NEU3 Q9UQ49 2/20 0.32
BCHE P06276 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
FGF2 P09038 1/20 0.30
MDK P21741 1/20 0.30
ABCB1 P08183 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
SCHEMBL1971069 0.90 PDPK1 (0.39) PDPK1MTORTNFLGALS8ALDH1A1
SCHEMBL1491923 0.84 FGF2 (0.43) PDPK1MTORLGALS8BCHEALDH1A1
SCHEMBL1491920 0.83 FGF2 (0.31) PDPK1MTORFGF2MDK
SCHEMBL30689829 0.78 SSTR5 (0.42)
SCHEMBL2804636 0.77 PDPK1 (0.43) PDPK1MTORALDH1A1CYP2C9CYP2C19
SCHEMBL13129921 0.77 PDPK1 (0.43) PDPK1MTORALDH1A1CYP2C9CYP2C19
SCHEMBL17557897 0.76 PDPK1 (0.36) PDPK1MTORNEU3ALDH1A1CYP2C9
SCHEMBL21195773 0.73 PDPK1 (0.36) PDPK1MTORNEU3ALDH1A1CYP2C9
SCHEMBL1973526 0.73 PDPK1 (0.34) PDPK1MTORLGALS8BCHEALDH1A1
SCHEMBL25365555 0.73 PDPK1 (0.47) PDPK1MTORTNFBCHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7901687-B2 Antibodies for the detection of Bacillus anthracis and vaccine against B. anthracis infections ETH ZURICH (CH) 2011-03-08 US disclosed
US-20090155299-A1 Antibodies for the Detection of Bacillus Anthracis and Vaccine Against B. Anthracis Infections SCHWEIZERISCHES TROPENINSTITUT (CH) 2009-06-18 US disclosed
EP-2012821-A2 ANTIBODIES FOR THE DETECTION OF BACILLUS ANTHRACIS AND VACCINE AGAINST B. ANTHRACIS INFECTIONS ETH Zürich (CH) 2009-01-14 EP disclosed
WO-2007125089-A2 ANTIBODIES FOR THE DETECTION OF BACILLUS ANTHRACIS AND VACCINE AGAINST B. ANTHRACIS INFECTIONS ETH Zürich (CH) 2007-11-08 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-20090155299-A1 Antibodies for the Detection of Bacillus Anthracis and Vaccine Against B. Anthracis Infections ANTXR2, CERT1, DAD1 PDPK1 4713/4885MTOR 4359/4885TNF 1394/4885

“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.