SCHEMBL569252

SCHEMBL569252

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
LTA4H P09960 1/20 0.36
SLC7A5 Q01650 2/20 0.35
KMT2A Q03164 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
LMNA P02545 1/20 0.33
DGAT1 O75907 1/20 0.33
CA7 P43166 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
CYP3A4 P08684 2/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32

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
Hydrochloric Acid SCHEMBL20243055 0.98 NOS1 (0.38) NOS1NOS3NOS2LTA4HSLC7A5
SCHEMBL7199828 0.92 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL27596147 0.92 CA12 (0.38) NOS1NOS3NOS2LTA4HSLC7A5
Hydrochloric Acid SCHEMBL28464794 0.90 CA12 (0.37) NOS1NOS3NOS2LTA4HSLC7A5
SCHEMBL66234 0.89 SLC7A5 (0.50) NOS1NOS3NOS2LTA4HSLC7A5
SCHEMBL66233 0.89 SLC7A5 (0.50) NOS1NOS3NOS2LTA4HSLC7A5
SCHEMBL2541315 0.89 SLC7A5 (0.50) NOS1NOS3NOS2LTA4HSLC7A5
SCHEMBL2368385 0.87 NOS1 (0.39) NOS1NOS3NOS2LTA4HSLC7A5
SCHEMBL22036228 0.87 NOS1 (0.36) NOS1NOS3NOS2LTA4HSLC7A5
Hydrochloric Acid SCHEMBL953367 0.87 SLC7A5 (0.48) NOS1NOS3NOS2LTA4HSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970586-B1 AMINE FUNCTIONAL POLYAMIDES GENZYME CORP (US) 2022-12-07 EP disclosed
EP-2968231-B1 ANTIMICROBIAL POLYAMIDE COMPOSITIONS AND MASTITIS TREATMENT BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-07-01 EP disclosed
EP-2968231-A1 ANTIMICROBIAL POLYAMIDE COMPOSITIONS AND MASTITIS TREATMENT Merial, Inc. (US) 2016-01-20 EP disclosed
EP-2970586-A1 AMINE FUNCTIONAL POLYAMIDES Genzyme Corporation (US) 2016-01-20 EP disclosed
WO-2014150451-A1 ANTIMICROBIAL POLYAMIDE COMPOSITIONS AND MASTITIS TREATMENT MERIAL LIMITED (US) 2014-09-25 WO disclosed
WO-2014150338-A1 AMINE FUNCTIONAL POLYAMIDES GENZYME CORPORATION (US) 2014-09-25 WO disclosed
US-20120035140-A1 CARBAMOYLPHOSPHONATES AS INHIBITORS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2012-02-09 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 (1 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-20120035140-A1 CARBAMOYLPHOSPHONATES AS INHIBITORS AND USES THEREOF MMP9, MMP26, MMP25 NOS1 2003/4885NOS3 1799/4885NOS2 2225/4885

“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.