SCHEMBL581928

SCHEMBL581928

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLG P00747 8/20 0.42
RORC P51449 2/20 0.37
P2RX7 Q99572 2/20 0.37
PKM P14618 1/20 0.37
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
TP53 P04637 2/20 0.35
HCRTR2 O43614 2/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL3079068 1.00 PLG (0.42) PLGRORCP2RX7PKMTMEM97
SCHEMBL587149 1.00 PLG (0.42) PLGRORCP2RX7PKMTMEM97
SCHEMBL587162 0.91 PLG (0.41) PLGP2RX7TMEM97SIGMAR1TP53
SCHEMBL597997 0.91 PLG (0.41) PLGP2RX7TMEM97SIGMAR1TP53
SCHEMBL3069351 0.91 PLG (0.41) PLGP2RX7TMEM97SIGMAR1TP53
SCHEMBL581115 0.91 PLG (0.41) PLGP2RX7TMEM97SIGMAR1TP53
SCHEMBL581495 0.91 PLG (0.41) PLGRORCTMEM97SIGMAR1TP53
SCHEMBL581433 0.91 PLG (0.41) PLGRORCTMEM97SIGMAR1TP53
SCHEMBL582182 0.91 PLG (0.41) PLGRORCTMEM97SIGMAR1TP53
SCHEMBL581432 0.91 PLG (0.41) PLGRORCTMEM97SIGMAR1TP53

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 4861/4885RORC 1019/4885P2RX7 873/4885

“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.