SCHEMBL17340987

SCHEMBL17340987

CC(C)C[C@H]1OC(C)[C@@H](O)[C@H](O)C1O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.38
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
RPS6KA3 P51812 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
SCHEMBL19129670 0.98 FUCA1 (0.35) FUCA1
SCHEMBL16773473 0.98 FUCA1 (0.35) FUCA1
SCHEMBL26194052 0.98 FUCA1 (0.35) FUCA1
SCHEMBL14159315 0.85 FUCA1 (0.37) FUCA1CA9CA12CA2
SCHEMBL7996542 0.83 FUCA1 (0.38) FUCA1CA9CA12CA2
SCHEMBL21095319 0.80 LGALS1 (0.34) RPS6KA3
SCHEMBL21095314 0.80 LGALS1 (0.34) RPS6KA3
SCHEMBL21095312 0.80 LGALS1 (0.34) RPS6KA3
SCHEMBL21096133 0.80 LGALS1 (0.34) RPS6KA3
SCHEMBL12231786 0.80 LGALS1 (0.34) RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371351-B2 Glycomimetics as Pseudomonas aeruginosa lectin inhibitors Universität Konstanz (DE) 2016-06-21 US disclosed
US-20150361122-A1 Glycomimetics As Pseudomonas Aeruginosa Lectin Inhibitors Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2015-12-17 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 (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-20150361122-A1 Glycomimetics As Pseudomonas Aeruginosa Lectin Inhibitors FUCA1, ALG1, MUC1 FUCA1 1/4885CA9 2411/4885CA12 1714/4885

“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.