SCHEMBL3072586

SCHEMBL3072586

COC(=O)N1CC[C@H](c2cc(=O)[nH]o2)C[C@@H]1c1ccc(OC(F)(F)F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLG P00747 6/20 0.38
RORC P51449 3/20 0.38
PDE2A O00408 1/20 0.36
HCRTR2 O43614 1/20 0.35
TRPV1 Q8NER1 5/20 0.34
F10 P00742 1/20 0.33
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
CFD P00746 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
SCHEMBL581390 1.00 PLG (0.38) PLGRORCPDE2AHCRTR2TRPV1
SCHEMBL581389 1.00 PLG (0.38) PLGRORCPDE2AHCRTR2TRPV1
SCHEMBL3075019 1.00 PLG (0.38) PLGRORCPDE2AHCRTR2TRPV1
SCHEMBL581391 0.90 PLG (0.38) PLGRORCPDE2A
SCHEMBL581447 0.88 PLG (0.39) PLGRORCPDE2A
SCHEMBL581947 0.88 PLG (0.39) PLGRORCPDE2A
SCHEMBL3069768 0.88 PLG (0.39) PLGRORCPDE2A
SCHEMBL621875 0.88 PLG (0.39) PLGRORCPDE2A
SCHEMBL3079068 0.87 PLG (0.42) PLGRORCHCRTR2
SCHEMBL581928 0.87 PLG (0.42) PLGRORCHCRTR2

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 2 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
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 1019/4885PDE2A 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.