SCHEMBL1667148

SCHEMBL1667148

CCCCCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.40
CA1 P00915 1/20 0.40
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
GPR84 Q9NQS5 7/20 0.36
FFAR1 O14842 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
EPHX1 P07099 1/20 0.36
MAPT P10636 1/20 0.35
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
LAP3 P28838 1/20 0.34
SMPD1 P17405 2/20 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
SCHEMBL7046890 0.98 CA2 (0.41) CA2CA1GRIK1GRIK2GPR84
SCHEMBL19475376 0.94 S1PR2 (0.41) CA2CA1GRIK1GRIK2ZDHHC7
SCHEMBL19475374 0.94 S1PR2 (0.41) CA2CA1GRIK1GRIK2ZDHHC7
SCHEMBL19900563 0.94 CA2 (0.46) CA2CA1GRIK1GRIK2EPHX1
SCHEMBL19900480 0.94 CA2 (0.46) CA2CA1GRIK1GRIK2EPHX1
SCHEMBL19900476 0.94 CA2 (0.46) CA2CA1GRIK1GRIK2EPHX1
SCHEMBL19475046 0.92 FAAH (0.36) CA2CA1GRIK1GRIK2GPR84
SCHEMBL19475004 0.92 FAAH (0.36) CA2CA1GRIK1GRIK2GPR84
SCHEMBL18291171 0.87 CA2 (0.36) CA2CA1
SCHEMBL9842167 0.86 GPR84 (0.44) CA2GRIK1GRIK2GPR84FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2019-08-06 US disclosed
EP-3431084-A1 ANTIINFLAMMATORY 2-OXOTHIAZOLES Avexxin AS (NO) 2019-01-23 EP disclosed
US-20170166539-A1 COMPOUND AVEXXIN AS (NO) 2017-06-15 US disclosed
US-20170166539-A1 COMPOUND AVEXXIN AS (NO) 2017-06-15 US disclosed
US-9597318-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2017-03-21 US disclosed
US-9597318-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2017-03-21 US disclosed
EP-2482815-A1 ANTI INFLAMMATORY 2-OXOTHIAZOLES AND 2 -OXOOXAZOLES Avexxin AS (NO) 2012-08-08 EP disclosed
US-20110136879-A1 COMPOUND AVEXXIN AS (NO) 2011-06-09 US disclosed
US-20110136879-A1 COMPOUND AVEXXIN AS (NO) 2011-06-09 US disclosed
WO-2011039365-A1 ANTI INFLAMMATORY 2-OXOTHIAZOLES AND 2 -OXOOXAZOLES AVEXXIN AS (NO) 2011-04-07 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-20110136879-A1 COMPOUND CBR1, CBR3, CCR1 CA2 212/4885CA1 276/4885GRIK1 1067/4885
US-20170166539-A1 COMPOUND CBR1, CBR3, CCR1 CA2 213/4885CA1 276/4885GRIK1 1078/4885
US-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders CX3CR1, LTC4S, CBR1 CA2 495/4885CA1 610/4885GRIK1 539/4885

“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.