SCHEMBL582030

SCHEMBL582030

COC(=O)N1CCC(c2cc(=O)[nH]o2)CC1Cc1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLG P00747 11/20 0.40
EPHX2 P34913 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
PDE2A O00408 3/20 0.34
OPRK1 P41145 1/20 0.34
TACR1 P25103 2/20 0.33
RORC P51449 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
SCHEMBL582031 1.00 PLG (0.40) PLGEPHX2JAK2JAK1TYK2
SCHEMBL587153 1.00 PLG (0.40) PLGEPHX2JAK2JAK1TYK2
SCHEMBL3074929 1.00 PLG (0.40) PLGEPHX2JAK2JAK1TYK2
SCHEMBL581961 0.93 PLG (0.53) PLGEPHX2JAK2JAK1TYK2
SCHEMBL3088376 0.90 PLG (0.43) PLGOPRK1
SCHEMBL3073126 0.90 PLG (0.43) PLGOPRK1
SCHEMBL3074735 0.90 PLG (0.43) PLGOPRK1
SCHEMBL587770 0.90 PLG (0.43) PLGOPRK1
SCHEMBL581592 0.90 PLG (0.43) PLGOPRK1
SCHEMBL581345 0.90 PLG (0.43) PLGJAK2JAK1TYK2JAK3

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 4861/4885EPHX2 3080/4885JAK2 2003/4885

“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.