SCHEMBL21903344

SCHEMBL21903344

CC(C)(C)OC(=O)NCCCNC(=O)C12CC3C[C@H](C1)C1(OOC4(CCC(CC(=O)O)CC4)O1)[C@@H](C3)C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
DGAT1 O75907 1/20 0.34
EPHX2 P34913 2/20 0.32
CACNA1H O95180 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL21975805 1.00 KCNH2 (0.39) KCNH2KDM4EHTTCYP3A4CYP2C9
SCHEMBL21976599 0.90 KCNH2 (0.37) KCNH2CYP3A4CYP2C9CYP2C19DGAT1
SCHEMBL21903388 0.90 KCNH2 (0.37) KCNH2CYP3A4CYP2C9CYP2C19DGAT1
SCHEMBL21903386 0.90 KCNH2 (0.37) KCNH2CYP3A4CYP2C9CYP2C19DGAT1
SCHEMBL20621206 0.80 EPHX2 (0.39) KDM4EHTTDGAT1EPHX2CACNA1H
SCHEMBL21975867 0.79 DGAT1 (0.31) KCNH2DGAT1MEN1GAAKMT2A
SCHEMBL17021147 0.76 KCNH2 (0.46) KCNH2CYP3A4CYP2C9CYP2C19EPHX2
SCHEMBL20620711 0.73 KDM4E (0.35) KDM4EHTTDGAT1EPHX2CACNA1H
SCHEMBL15787082 0.70 KCNH2 (0.67) KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL16710278 0.70 KCNH2 (0.67) KCNH2CYP3A4CYP2C9CYP2C19

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-12139470-B2 Trioxolane agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-11-12 US disclosed
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 (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-20220411396-A1 TRIOXOLANE AGENTS ABCB4, SLC10A1, SLC10A2 KCNH2 4109/4885KDM4E 4796/4885HTT 776/4885
US-11072594-B2 Trioxolane agents ABCB4, SLC10A1, SLC10A2 KCNH2 4109/4885KDM4E 4796/4885HTT 776/4885
US-20200140406-A1 TRIOXOLANE AGENTS ABCB4, SLC10A1, SLC10A2 KCNH2 4109/4885KDM4E 4796/4885HTT 776/4885
US-12139470-B2 Trioxolane agents ABCB4, SLC10A1, SLC10A2 KCNH2 4109/4885KDM4E 4796/4885HTT 776/4885

“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.