SCHEMBL3076934

SCHEMBL3076934

COC(=O)N1CC[C@H](c2cc(=O)[nH]o2)C[C@H]1CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.52
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
ENPP2 Q13822 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30

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
SCHEMBL580995 1.00 PLG (0.52) PLGGABRA1GABRG2GABRB3ENPP2
SCHEMBL587320 1.00 PLG (0.52) PLGGABRA1GABRG2GABRB3ENPP2
SCHEMBL581377 0.85 PLG (0.52) PLGGABRA1GABRG2GABRB3ENPP2
SCHEMBL587463 0.85 PLG (0.52) PLGGABRA1GABRG2GABRB3ENPP2
SCHEMBL3078661 0.85 PLG (0.52) PLGGABRA1GABRG2GABRB3ENPP2
SCHEMBL587746 0.85 PLG (0.52) PLGGABRA1GABRG2GABRB3ENPP2
SCHEMBL581387 0.83 PLG (0.53) PLGGABRA1GABRG2GABRB3ENPP2
SCHEMBL3074512 0.83 PLG (0.53) PLGGABRA1GABRG2GABRB3ENPP2
SCHEMBL582306 0.83 PLG (0.53) PLGGABRA1GABRG2GABRB3ENPP2
SCHEMBL3073131 0.83 PLG (0.53) PLGGABRA1GABRG2GABRB3ENPP2

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 4861/4885GABRA1 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.