SCHEMBL22398650

SCHEMBL22398650

CC(C)(C)OC(=O)C[C@H](N)C(=O)NCCOCCOCCOCCOCCNC(=O)[C@@H](N)CC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TLR2 O60603 13/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ CA2 P00918 3/20 0.36
▸ PLK1 P53350 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL22398651 1.00 MEN1 (0.47) MEN1KMT2ATLR2CYP2D6CA2
SCHEMBL22687577 0.94 MEN1 (0.43) MEN1KMT2ATLR2CYP2D6CA2
SCHEMBL22398629 0.89 MEN1 (0.41) MEN1KMT2ATLR2CYP2D6CA2
SCHEMBL22398630 0.89 MEN1 (0.41) MEN1KMT2ATLR2CYP2D6CA2
SCHEMBL15233204 0.86 MEN1 (0.35) MEN1KMT2ATLR2CYP2D6
SCHEMBL22398323 0.84 RRM1 (0.46) MEN1KMT2ADPP7
SCHEMBL18906348 0.84 MEN1 (0.39) MEN1KMT2ATLR2CA2
SCHEMBL18906341 0.84 MEN1 (0.39) MEN1KMT2ATLR2CA2
SCHEMBL30951038 0.84 MEN1 (0.41) MEN1KMT2ATLR2CA2PLK1
SCHEMBL16368840 0.83 MEN1 (0.46) MEN1KMT2ACYP2D6CA2

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-11465965-B2 Double-headed protease inhibitor UBE INDUSTRIES, LTD. (JP) 2022-10-11 — — US disclosed
US-20200347011-A1 DOUBLE-HEADED PROTEASE INHIBITOR UBE INDUSTRIES, LTD. (JP) 2020-11-05 — — US disclosed
EP-3705471-A1 DOUBLE-HEADED PROTEASE INHIBITOR UBE Industries, Ltd. (JP) 2020-09-09 — — EP 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-20200347011-A1 DOUBLE-HEADED PROTEASE INHIBITOR TMPRSS15, SPINT2, PRSS2 MEN1 519/4885KMT2A 1556/4885TLR2 3044/4885
US-11465965-B2 Double-headed protease inhibitor TMPRSS15, SPINT2, PRSS2 MEN1 519/4885KMT2A 1556/4885TLR2 3044/4885

“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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