SCHEMBL19974776

SCHEMBL19974776

CC(C)NC(=O)C(O)C(C)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.50
MMP8 P22894 2/20 0.50
PSMB5 P28074 1/20 0.48
CTSS P25774 3/20 0.46
CTSL P07711 2/20 0.46
RCE1 Q9Y256 1/20 0.44
MMP1 P03956 1/20 0.43
CTSK P43235 3/20 0.42
CTSB P07858 1/20 0.42
PTGES O14684 1/20 0.42
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL12848459 0.83 PSMB5 (0.48) MMP9MMP8PSMB5CTSKPTGES
SCHEMBL1362201 0.82 SLC1A3 (0.51) MMP9MMP8PSMB5CTSSCTSL
SCHEMBL1487164 0.82 SLC1A3 (0.51) MMP9MMP8PSMB5CTSSCTSL
SCHEMBL5569976 0.82 SLC1A3 (0.51) MMP9MMP8PSMB5CTSSCTSL
SCHEMBL1362196 0.82 SLC1A3 (0.51) MMP9MMP8PSMB5CTSSCTSL
SCHEMBL1362199 0.82 SLC1A3 (0.51) MMP9MMP8PSMB5CTSSCTSL
SCHEMBL3301531 0.80 PSMB5 (0.46) MMP9MMP8PSMB5MMP1CTSK
SCHEMBL21843008 0.80 ALDH1A1 (0.53) MMP9MMP8CTSSCTSLRCE1
SCHEMBL21843005 0.80 ALDH1A1 (0.53) MMP9MMP8CTSSCTSLRCE1
SCHEMBL8930328 0.77 LMNA (0.52) MMP9MMP8RCE1SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C MMP9 2573/4885MMP8 1670/4885PSMB5 2356/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C MMP9 2468/4885MMP8 1832/4885PSMB5 2651/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C MMP9 2573/4885MMP8 1670/4885PSMB5 2356/4885

“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.