SCHEMBL29640237

SCHEMBL29640237

CC(C)OC(=O)[C@](CC(C)(C)C)(NC(=O)OCc1ccccc1)c1ccc2nc(OS(=O)(=O)C(F)(F)F)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CTSS P25774 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MGLL Q99685 1/20 0.32
▸ AAK1 Q2M2I8 3/20 0.32
▸ PTPN2 P17706 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ PTPRB P23467 1/20 0.32
▸ ACP1 P24666 1/20 0.32
▸ SCN9A Q15858 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ ADAMTS4 O75173 1/20 0.32
▸ ELANE P08246 1/20 0.31
▸ ATM Q13315 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
SCHEMBL20899807 0.91 MEN1 (0.38) MEN1KMT2ACTSSPLAUMMP2
SCHEMBL20899809 0.91 MEN1 (0.38) MEN1KMT2ACTSSPLAUMMP2
SCHEMBL23114825 0.90 MEN1 (0.38) MEN1KMT2ACTSSAAK1SCN9A
SCHEMBL29640241 0.85 MEN1 (0.37) MEN1KMT2ACTSSAAK1SCN9A
SCHEMBL28407708 0.85 MEN1 (0.37) MEN1KMT2ACTSSAAK1SCN9A
SCHEMBL20907560 0.85 MEN1 (0.37) MEN1KMT2ACTSSAAK1SCN9A
SCHEMBL20907698 0.85 MEN1 (0.37) MEN1KMT2ACTSSMGLLAAK1
SCHEMBL21149567 0.85 MEN1 (0.37) MEN1KMT2ACTSSMGLLAAK1
SCHEMBL29640279 0.85 MEN1 (0.37) MEN1KMT2ACTSSMGLLAAK1
SCHEMBL20907561 0.85 PLAU (0.39) MEN1KMT2ACTSSPLAUAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 — — 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 (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-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885KMT2A 1556/4885CTSS 27/4885

“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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