SCHEMBL582807

SCHEMBL582807

O=C(O)N1CCC(c2cc(=O)[nH]o2)CC1c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLG P00747 11/20 0.40
SIGMAR1 Q99720 2/20 0.36
PDE2A O00408 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
TACR1 P25103 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A9 P48067 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
SCHEMBL581696 0.90 PLG (0.42) PLGSIGMAR1TACR1
SCHEMBL621875 0.89 PLG (0.39) PLGSIGMAR1PDE2ATMEM97TACR1
SCHEMBL581947 0.89 PLG (0.39) PLGSIGMAR1PDE2ATMEM97TACR1
SCHEMBL3069768 0.89 PLG (0.39) PLGSIGMAR1PDE2ATMEM97TACR1
SCHEMBL581447 0.89 PLG (0.39) PLGSIGMAR1PDE2ATMEM97TACR1
SCHEMBL3075689 0.88 PLG (0.43) PLGGABRA1GABRG2GABRB3SLC6A9
SCHEMBL28797521 0.87 SIGMAR1 (0.38) PLGSIGMAR1PDE2ATMEM97SLC6A9
SCHEMBL27853135 0.86 PLG (0.41) PLGSIGMAR1GABRA1GABRG2GABRB3
SCHEMBL27869786 0.86 PLG (0.41) PLGSIGMAR1GABRA1GABRG2GABRB3
SCHEMBL581722 0.86 PLG (0.41) PLGSIGMAR1GABRA1GABRG2GABRB3

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 4861/4885SIGMAR1 17/4885PDE2A 4291/4885

“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.