SCHEMBL22402512

SCHEMBL22402512

CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5ccccc5-6)c5nsnc45)c4nsnc34)cc21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 15/20 0.37
▸ PTPN11 Q06124 1/20 0.33
▸ MMP2 P08253 2/20 0.32
▸ MMP9 P14780 2/20 0.32
▸ MMP8 P22894 2/20 0.32
▸ MMP13 P45452 2/20 0.32
▸ APEX1 P27695 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 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
SCHEMBL5354304 0.99 PDK2 (0.37) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL22402534 0.99 PDK2 (0.37) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL25444633 0.99 PDK2 (0.37) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL25444635 0.99 PDK2 (0.37) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL25444697 0.98 PDK2 (0.37) PDK2PTPN11
SCHEMBL5527019 0.98 PDK2 (0.37) PDK2PTPN11
SCHEMBL14287893 0.93 PDK2 (0.36) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL25444706 0.92 PDK2 (0.34) PDK2PTPN11ALOX5APFEN1
SCHEMBL25444691 0.92 PDK2 (0.35) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL22402530 0.91 PDK2 (0.34) PDK2PTPN11MMP2MMP9MMP8

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-20230039657-A1 DETECTION METHOD UNIV QUEENSLAND (AU) 2023-02-09 — — US disclosed
US-20200284728-A1 DETECTION METHOD THE UNIVERSITY OF QUEENSLAND (AU) 2020-09-10 — — 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-20230039657-A1 DETECTION METHOD OPRK1, OPRM1, SIGMAR1 PDK2 3509/4885PTPN11 1839/4885MMP2 2839/4885
US-20200284728-A1 DETECTION METHOD OPRK1, OPRM1, SIGMAR1 PDK2 3509/4885PTPN11 1839/4885MMP2 2839/4885

“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.

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