SCHEMBL1022899

SCHEMBL1022899

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.67
MAPT P10636 2/20 0.53
IDO1 P14902 1/20 0.48
CTRB1 P17538 2/20 0.48
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTSS P25774 2/20 0.46
KLK7 P49862 1/20 0.46
KLK5 Q9Y337 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A1 P43005 1/20 0.46
CASP1 P29466 1/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
FOLH1 Q04609 1/20 0.44

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
SCHEMBL20556459 1.00 SYK (0.67) SYKMAPTIDO1CTRB1HTT
SCHEMBL6372820 0.95 SYK (0.60) SYKMAPTIDO1CTRB1HTT
SCHEMBL6372825 0.95 SYK (0.60) SYKMAPTIDO1CTRB1HTT
SCHEMBL1021955 0.93 SYK (0.64) SYKMAPTIDO1CTRB1HTT
SCHEMBL20556374 0.92 SYK (0.63) SYKMAPTHTTKLK7KLK5
SCHEMBL20556328 0.92 SYK (0.63) SYKMAPTHTTKLK7KLK5
SCHEMBL19345775 0.92 SYK (0.63) SYKMAPTHTTKLK7KLK5
SCHEMBL19057326 0.90 SYK (0.68) SYKMAPTIDO1CTRB1HTT
SCHEMBL6619899 0.90 SYK (0.68) SYKMAPTIDO1CTRB1HTT
SCHEMBL18123350 0.90 SYK (0.79) SYKMAPTIDO1CTRB1HTT

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 13 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
CN-108884058-A MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS 阿奇克斯制药公司 2018-11-23 CN disclosed
US-20180327367-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS WUXI APPTEC CO., LTD (CN) 2018-11-15 US disclosed
EP-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 EP disclosed
US-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2008-11-06 US disclosed
US-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 US disclosed
EP-1869068-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AiCuris GmbH & Co. KG (DE) 2007-12-26 EP disclosed
EP-1797110-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AiCuris GmbH & Co. KG (DE) 2007-06-20 EP disclosed
WO-2006103015-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2006-10-05 WO disclosed
WO-2006034786-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO.KG (DE) 2006-04-06 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 (4 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-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC SYK 3060/4885MAPT 4356/4885IDO1 2481/4885
US-20180327367-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC SYK 2484/4885MAPT 4006/4885IDO1 2405/4885
US-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 SYK 2058/4885MAPT 4840/4885IDO1 3237/4885
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC SYK 2484/4885MAPT 4006/4885IDO1 2405/4885

“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.