SCHEMBL20556325

SCHEMBL20556325

COC(=O)C(CCNC(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
SLC10A6 Q3KNW5 1/20 0.38

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
SCHEMBL20556326 1.00 MEN1 (0.42) MEN1KMT2AMALT1ALDH1A1LMNA
SCHEMBL28720025 0.91 MEN1 (0.45) MEN1KMT2AMALT1ALDH1A1NPSR1
SCHEMBL28720126 0.91 MEN1 (0.45) MEN1KMT2AMALT1ALDH1A1NPSR1
SCHEMBL10328418 0.90 MEN1 (0.43) MEN1KMT2AALDH1A1LMNAPKM
SCHEMBL25352999 0.83 MMP9 (0.43)
SCHEMBL30299124 0.83 MMP9 (0.43) ALDH1A1LMNA
SCHEMBL30299079 0.83 MMP9 (0.43)
SCHEMBL14476195 0.81 MEN1 (0.52) MEN1KMT2AMALT1ALDH1A1LMNA
SCHEMBL20556383 0.81 CA1 (0.45) MALT1ALDH1A1LMNAPKMF2
SCHEMBL20556384 0.81 CA1 (0.45) MALT1ALDH1A1LMNAPKMF2

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
EP-3377473-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-06-19 EP disclosed
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20180327367-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS WUXI APPTEC CO., LTD (CN) 2018-11-15 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-20180327367-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC MEN1 2531/4885KMT2A 3283/4885MALT1 3363/4885
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC MEN1 2531/4885KMT2A 3283/4885MALT1 3363/4885

“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.