SCHEMBL3078375

SCHEMBL3078375

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.44
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
P2RX7 Q99572 3/20 0.36
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
ROCK2 O75116 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 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
SCHEMBL587059 1.00 PLG (0.44) PLGGABRA1GABRG2GABRB3P2RX7
SCHEMBL587647 1.00 PLG (0.44) PLGGABRA1GABRG2GABRB3P2RX7
SCHEMBL580985 1.00 PLG (0.44) PLGGABRA1GABRG2GABRB3P2RX7
SCHEMBL587254 0.90 PLG (0.43) PLGGABRA1GABRG2GABRB3P2RX7
SCHEMBL3075765 0.90 PLG (0.43) PLGGABRA1GABRG2GABRB3P2RX7
SCHEMBL581148 0.90 PLG (0.43) PLGGABRA1GABRG2GABRB3P2RX7
SCHEMBL587381 0.90 PLG (0.43) PLGGABRA1GABRG2GABRB3P2RX7
SCHEMBL581701 0.90 PLG (0.44) PLGGABRA1GABRG2GABRB3CCNC
SCHEMBL581218 0.90 PLG (0.44) PLGGABRA1GABRG2GABRB3CCNC
SCHEMBL3087720 0.90 PLG (0.44) PLGGABRA1GABRG2GABRB3CCNC

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.