SCHEMBL587770

SCHEMBL587770

COC(=O)N1CC[C@@H](c2cc(=O)[nH]o2)C[C@H]1Cc1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.43
OPRK1 P41145 1/20 0.39
ALDH1A1 P00352 1/20 0.34
DRD4 P21917 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ENPP2 Q13822 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 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
SCHEMBL3073126 1.00 PLG (0.43) PLGOPRK1ALDH1A1DRD4TMEM97
SCHEMBL581592 1.00 PLG (0.43) PLGOPRK1ALDH1A1DRD4TMEM97
SCHEMBL3088376 1.00 PLG (0.43) PLGOPRK1ALDH1A1DRD4TMEM97
SCHEMBL3074735 1.00 PLG (0.43) PLGOPRK1ALDH1A1DRD4TMEM97
SCHEMBL581507 0.91 PLG (0.54) PLG
SCHEMBL3063147 0.91 PLG (0.54) PLG
SCHEMBL3083188 0.91 PLG (0.54) PLG
SCHEMBL3080464 0.91 PLG (0.54) PLG
SCHEMBL582629 0.91 PLG (0.42) PLGOPRK1ENPP2GABRA1GABRG2
SCHEMBL3080222 0.91 PLG (0.42) PLGOPRK1ENPP2GABRA1GABRG2

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
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 US disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 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 (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 4861/4885OPRK1 164/4885ALDH1A1 2598/4885

“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.