SCHEMBL6715518

SCHEMBL6715518

CC(C)(C)OC(=O)N(CC(=O)O)c1ccc(F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.37
PTGDR Q13258 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.36
MLYCD O95822 1/20 0.36
RIPK1 Q13546 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
STAT5B P51692 1/20 0.34
STAT3 P40763 1/20 0.33
MT-CO2 P00403 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
SCHEMBL11528826 0.89 MIF (0.38) MLYCDHDAC1HDAC8HDAC6STAT5B
SCHEMBL7239028 0.88 MLYCD (0.41) LTB4R2MLYCDRIPK1HDAC1HDAC8
SCHEMBL3772650 0.84 MT-CO2 (0.36) PTGIRPTGDRLTB4R2RIPK1HDAC1
SCHEMBL3349318 0.84 MLYCD (0.41) LTB4R2MLYCD
SCHEMBL3160941 0.82 MT-CO2 (0.38) PTGIRPTGDRLTB4R2RIPK1HDAC1
SCHEMBL4832488 0.82 HDAC1 (0.48) PTGIRPTGDRLTB4R2HDAC1HDAC8
SCHEMBL7235054 0.81 RXRA (0.35) LTB4R2HDAC1HDAC8HDAC6STAT5B
SCHEMBL266144 0.81 MT-CO2 (0.46) MLYCDMT-CO2
SCHEMBL6302058 0.81 HDAC1 (0.36) PTGIRMLYCDHDAC1HDAC8HDAC6
SCHEMBL3160825 0.81 TSHR (0.37) PTGIRPTGDRLTB4R2RIPK1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
WO-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed
US-6555541-B1 P2X7 receptor antagonists for treatment of inflammatory respiratory system disorders such as asthma; for example, 2-(3,4-Difluorophenylamino)-N-(2-methyl-5-piperazin-1-yl-methyl-phenyl) -acetamide, trihydrochloride ASTRAZENECA UK LIMITED (GB) 2003-04-29 US disclosed
EP-1185522-A1 SUBSTITUTED PHENYL COMPOUNDS WITH IMMUNOSUPPRESSING ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca AB (SE) 2002-03-13 EP disclosed
WO-2000071529-A1 SUBSTITUTED PHENYL COMPOUNDS WITH IMMUNOSUPPRESSING ACTIVITY AND PHARMACEUTICAL COMPOSITIONS ASTRAZENECA AB (SE) 2000-11-30 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 (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-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors SLC1A2, SLC6A7, SLC1A1 PTGIR 1004/4885PTGDR 1042/4885LTB4R2 1966/4885

“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.