SCHEMBL3074815

SCHEMBL3074815

COC(=O)N1CC[C@@H](c2cc(=O)[nH]o2)C[C@H]1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLG P00747 8/20 0.42
SLC6A4 P31645 1/20 0.36
NR1H2 P55055 4/20 0.35
NR1H3 Q13133 4/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
EPHX2 P34913 1/20 0.34
GPR119 Q8TDV5 3/20 0.33
USP5 P45974 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL587331 1.00 PLG (0.42) PLGSLC6A4NR1H2NR1H3GABRA1
SCHEMBL581151 1.00 PLG (0.42) PLGSLC6A4NR1H2NR1H3GABRA1
SCHEMBL607188 1.00 PLG (0.42) PLGSLC6A4NR1H2NR1H3GABRA1
SCHEMBL582168 0.89 PLG (0.44) PLGNR1H2NR1H3GABRA1GABRG2
SCHEMBL581701 0.87 PLG (0.44) PLGGABRA1GABRG2GABRB3
SCHEMBL580985 0.87 PLG (0.44) PLGGABRA1GABRG2GABRB3
SCHEMBL587647 0.87 PLG (0.44) PLGGABRA1GABRG2GABRB3
SCHEMBL3087720 0.87 PLG (0.44) PLGGABRA1GABRG2GABRB3
SCHEMBL587059 0.87 PLG (0.44) PLGGABRA1GABRG2GABRB3
SCHEMBL581218 0.87 PLG (0.44) PLGGABRA1GABRG2GABRB3

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 2 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
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 4861/4885SLC6A4 64/4885NR1H2 50/4885

“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.