SCHEMBL17079753

SCHEMBL17079753

CC(C)(C)OC(=O)C(N)CC(C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
SLC7A5 Q01650 1/20 0.42
GRM2 Q14416 2/20 0.42
GRM3 Q14832 2/20 0.42
CYP2C19 P33261 1/20 0.41
KIF11 P52732 3/20 0.39
AAK1 Q2M2I8 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 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
SCHEMBL7319980 0.88 GRM2 (0.49) LTA4HSLC7A5GRM2GRM3KIF11
SCHEMBL9544124 0.88 GRM2 (0.49) LTA4HSLC7A5GRM2GRM3KIF11
SCHEMBL27644530 0.87 POLB (0.44) LTA4HSLC7A5CYP2C19L3MBTL1MEN1
SCHEMBL27644605 0.82 LTA4H (0.39) LTA4HSLC7A5KIF11AAK1MEN1
SCHEMBL29182085 0.82 MMP8 (0.48) GRM2GRM3CYP2C19MEN1KMT2A
SCHEMBL8893618 0.81 KIF11 (0.44) LTA4HSLC7A5GRM2GRM3KIF11
SCHEMBL6704315 0.81 AAK1 (0.39) LTA4HAAK1CTSSCTSKATM
SCHEMBL28356651 0.81 AAK1 (0.39) LTA4HAAK1CTSSCTSKATM
SCHEMBL28750863 0.79 AAK1 (0.39) LTA4HSLC7A5AAK1CTSSCTSK
SCHEMBL5286288 0.79 GRM2 (0.62) SLC7A5GRM2GRM3CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023226965-A1 ROCK INHIBITORS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-11-30 WO disclosed
US-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2023-10-12 US disclosed
CN-106232617-B Polymyxin derivatives and their use in combination therapy with different antibiotics 云顶新耀医药科技有限公司 2022-06-24 CN disclosed
EP-3116897-B1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS INC (US) 2022-03-02 EP disclosed
US-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2021-07-22 US disclosed
US-20170073373-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2017-03-16 US disclosed
EP-3116897-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS New Pharma Licence Holdings Limited (MT) 2017-01-18 EP disclosed
WO-2015135976-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS NEW PHARMA LICENCE HOLDINGS LIMITED (MT) 2015-09-17 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-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 LTA4H 3013/4885SLC7A5 581/4885GRM2 4423/4885
US-20170073373-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 LTA4H 3013/4885SLC7A5 581/4885GRM2 4423/4885
US-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, MRPS35 LTA4H 2985/4885SLC7A5 512/4885GRM2 4404/4885

“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.