SCHEMBL582168

SCHEMBL582168

CS(=O)(=O)c1ccc(C2CC(c3cc(=O)[nH]o3)CCN2C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLG P00747 12/20 0.44
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
EPHX2 P34913 3/20 0.34
RIPK1 Q13546 1/20 0.34
DRD2 P14416 1/20 0.33
EPHX1 P07099 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 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
SCHEMBL581151 0.89 PLG (0.42) PLGGABRA1GABRG2GABRB3EPHX2
SCHEMBL3074815 0.89 PLG (0.42) PLGGABRA1GABRG2GABRB3EPHX2
SCHEMBL607188 0.89 PLG (0.42) PLGGABRA1GABRG2GABRB3EPHX2
SCHEMBL587331 0.89 PLG (0.42) PLGGABRA1GABRG2GABRB3EPHX2
SCHEMBL582046 0.86 PLG (0.48) PLGGABRA1GABRG2GABRB3RIPK1
SCHEMBL581276 0.85 PLG (0.51) PLGGABRA1GABRG2GABRB3DRD2
SCHEMBL581974 0.85 PLG (0.47) PLGGABRA1GABRG2GABRB3DRD2
SCHEMBL581493 0.85 PLG (0.45) PLGGABRA1GABRG2GABRB3
SCHEMBL27869818 0.84 PLG (0.45) PLGGABRA1GABRG2GABRB3RIPK1
SCHEMBL27869821 0.84 PLG (0.45) PLGGABRA1GABRG2GABRB3RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 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-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 PLG 4861/4885GABRA1 237/4885GABRG2 435/4885

“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.