SCHEMBL22552972

SCHEMBL22552972

CC(C)(C)OC(=O)NCCSCC1C(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MALT1 Q9UDY8 1/20 0.37
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
CASP3 P42574 1/20 0.35
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MDM2 Q00987 1/20 0.34
EPHX2 P34913 1/20 0.34
BRD4 O60885 1/20 0.34
IDO1 P14902 1/20 0.33

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
SCHEMBL29805151 0.82 KMT2A (0.42) KMT2AMALT1TLR2TLR1TDP1
SCHEMBL14769417 0.77 MALT1 (0.46) KMT2AMALT1TPSAB1TPSD1TPSG1
SCHEMBL732427 0.75 KMT2A (0.68) KMT2AMALT1TLR2TLR1TPSAB1
SCHEMBL5557644 0.75 KMT2A (0.60) KMT2AMALT1TLR2TLR1CASP3
SCHEMBL15684645 0.73 KMT2A (0.52) KMT2AMALT1TLR2TLR1TDP1
SCHEMBL13631378 0.73 KMT2A (0.65) KMT2AMALT1TLR2TLR1CASP3
SCHEMBL29625033 0.73 KMT2A (0.65) KMT2AMALT1TLR2TLR1CASP3
SCHEMBL30678165 0.72 KMT2A (0.57) KMT2AMALT1TLR2TLR1CASP3
SCHEMBL13247459 0.72 KMT2A (0.57) KMT2AMALT1TLR2TLR1CASP3
SCHEMBL28227637 0.72 KMT2A (0.57) KMT2AMALT1TLR2TLR1CASP3

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-11400079-B2 Antibacterial monobactams UNIVERSITY OF NOTRE DAME DU LAC (US) 2022-08-02 US disclosed
US-20200330438-A1 ANTIBACTERIAL MONOBACTAMS UNIVERSITY OF NOTRE DAME DU LAC (US) 2020-10-22 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-11400079-B2 Antibacterial monobactams MGAM, BBOX1, MGAM2 KMT2A 335/4885MALT1 1342/4885TLR2 522/4885
US-20200330438-A1 ANTIBACTERIAL MONOBACTAMS MGAM, BBOX1, MGAM2 KMT2A 335/4885MALT1 1342/4885TLR2 522/4885

“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.