SCHEMBL16645347

SCHEMBL16645347

COC[C@H]1OC(C)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.39
FUCA1 P04066 2/20 0.38
FBP1 P09467 1/20 0.36
PYGB P11216 1/20 0.33
ADK P55263 3/20 0.33
ADORA3 P0DMS8 1/20 0.33
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
SELP P16109 2/20 0.31
SELL P14151 1/20 0.31

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
SCHEMBL18654184 1.00 OGA (0.39) OGAFUCA1FBP1PYGBADK
SCHEMBL14477812 1.00 OGA (0.39) OGAFUCA1FBP1PYGBADK
SCHEMBL15258019 1.00 OGA (0.39) OGAFUCA1FBP1PYGBADK
SCHEMBL16645339 1.00 OGA (0.39) OGAFUCA1FBP1PYGBADK
SCHEMBL16645340 1.00 OGA (0.39) OGAFUCA1FBP1PYGBADK
SCHEMBL17254899 1.00 OGA (0.39) OGAFUCA1FBP1PYGBADK
SCHEMBL18654333 1.00 OGA (0.39) OGAFUCA1FBP1PYGBADK
SCHEMBL16645296 1.00 OGA (0.39) OGAFUCA1FBP1PYGBADK
SCHEMBL24323044 0.98 OGA (0.40) OGAFUCA1FBP1PYGBADK
SCHEMBL12899827 0.98 OGA (0.40) OGAFUCA1FBP1PYGBADK

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-20160022794-A1 SIDEROPHORE-BASED IMMUNIZATION AGAINST GRAM-NEGATIVE BACTERIA MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-28 US disclosed
WO-2015168380-A1 SIDEROPHORE-BASED IMMUNIZATION AGAINST GRAM-NEGATIVE BACTERIA MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-11-05 WO disclosed
WO-2015057958-A2 ENTEROBACTIN CONJUGATES AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-23 WO disclosed
US-20150105337-A1 ENTEROBACTIN CONJUGATES AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-16 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 (2 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-20150105337-A1 ENTEROBACTIN CONJUGATES AND USES THEREOF BTD, VIP, SLC10A2 OGA 2873/4885FUCA1 426/4885FBP1 1123/4885
US-20160022794-A1 SIDEROPHORE-BASED IMMUNIZATION AGAINST GRAM-NEGATIVE BACTERIA SLC40A1, SFXN1, SLC75A1 OGA 2484/4885FUCA1 704/4885FBP1 876/4885

“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.