SCHEMBL581048

SCHEMBL581048

COC(=O)C1CCNC(Cc2ccc(C(F)(F)F)c(F)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.37
KCNN4 O15554 2/20 0.36
EPHX2 P34913 4/20 0.36
FFAR1 O14842 1/20 0.36
KCNH2 Q12809 1/20 0.36
P2RX7 Q99572 2/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
PLG P00747 2/20 0.35
KIF11 P52732 1/20 0.34
DAO P14920 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
SCHEMBL581181 0.88 ALDH1A1 (0.42) KCNN4PLG
SCHEMBL581990 0.84 CYP3A4 (0.43) KCNH2PLG
SCHEMBL580826 0.83 PLG (0.50) PLG
SCHEMBL27853003 0.82 KCNN4 (0.36) PDE2AKCNN4EPHX2FFAR1KCNH2
Hydrochloric Acid SCHEMBL581112 0.82 HTR2A (0.36) KCNN4PLG
SCHEMBL581052 0.81 POLB (0.43) P2RX7
SCHEMBL27853004 0.81 FFAR4 (0.36) FFAR1KCNH2P2RX7PLGKIF11
SCHEMBL581867 0.80 KDM4E (0.43) EPHX2
SCHEMBL581932 0.80 HTR2C (0.49) PDE2AKCNN4EPHX2
SCHEMBL581503 0.80 PLG (0.53) PLG

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 PDE2A 4291/4885KCNN4 171/4885EPHX2 3080/4885

“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.