SCHEMBL20556201

SCHEMBL20556201

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
FOLH1 Q04609 2/20 0.55
CTSL P07711 5/20 0.54
CTSK P43235 5/20 0.54
CTSS P25774 5/20 0.54
CTSB P07858 3/20 0.54
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
TGM2 P21980 1/20 0.52
ITGB3 P05106 1/20 0.52
ITGAV P06756 1/20 0.52
SLC1A3 P43003 1/20 0.51
SLC1A1 P43005 1/20 0.51

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
SCHEMBL20556200 1.00 SIRT2 (0.57) SIRT2SIRT1FOLH1CTSLCTSK
SCHEMBL27429289 0.91 SIRT2 (0.69) SIRT2SIRT1FOLH1TGM2ITGB3
SCHEMBL6946394 0.91 FOLH1 (0.65) SIRT2SIRT1FOLH1CTSLCTSK
SCHEMBL18063383 0.91 FOLH1 (0.65) SIRT2SIRT1FOLH1CTSLCTSK
SCHEMBL6560900 0.86 CTSK (0.56) SIRT2SIRT1CTSLCTSKCTSS
SCHEMBL6560892 0.86 CTSK (0.56) SIRT2SIRT1CTSLCTSKCTSS
SCHEMBL10561905 0.86 CTSK (0.56) SIRT2SIRT1CTSLCTSKCTSS
SCHEMBL28832879 0.86 SIRT2 (0.56) SIRT2SIRT1FOLH1CTSLCTSK
Hydrochloric Acid SCHEMBL1161917 0.85 SIRT2 (0.55) SIRT2SIRT1FOLH1CTSLCTSK
SCHEMBL1197897 0.85 SYK (0.63) SIRT2SIRT1FOLH1CTSLCTSK

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 4 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
CN-108884058-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2022-04-29 CN 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 SIRT2 3547/4885SIRT1 1447/4885FOLH1 1780/4885
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC SIRT2 3547/4885SIRT1 1447/4885FOLH1 1780/4885

“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.