SCHEMBL21903365

SCHEMBL21903365

CCOC(=O)CC1CCC2(CC1)OO[C@@]1(O2)[C@@H]2C[C@@H]3C[C@H]1C[C@@](C(=O)O)(C3)C2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21976598 1.00 KCNH2 (0.44) KCNH2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL21903362 1.00 KCNH2 (0.44) KCNH2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL21975806 1.00 KCNH2 (0.44) KCNH2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL21903367 1.00 KCNH2 (0.44) KCNH2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL21903363 1.00 KCNH2 (0.44) KCNH2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL17189477 0.86 KCNH2 (0.59) KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL21975801 0.85 KCNH2 (0.39) KCNH2CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL30046902 0.85 CYP17A1 (0.39) KCNH2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL21976599 0.80 KCNH2 (0.37) KCNH2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL21903386 0.80 KCNH2 (0.37) KCNH2CYP3A4CYP2C9CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411396-A1 TRIOXOLANE AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-12-29 US disclosed
US-11072594-B2 Trioxolane agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-27 US disclosed
US-20200140406-A1 TRIOXOLANE AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-05-07 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 (3 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-20220411396-A1 TRIOXOLANE AGENTS ABCB4, SLC10A1, SLC10A2 KCNH2 4109/4885CYP3A4 3032/4885CYP2C9 2886/4885
US-11072594-B2 Trioxolane agents ABCB4, SLC10A1, SLC10A2 KCNH2 4109/4885CYP3A4 3032/4885CYP2C9 2886/4885
US-20200140406-A1 TRIOXOLANE AGENTS ABCB4, SLC10A1, SLC10A2 KCNH2 4109/4885CYP3A4 3032/4885CYP2C9 2886/4885

“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.