SCHEMBL3069768

SCHEMBL3069768

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLG P00747 7/20 0.39
SIGMAR1 Q99720 2/20 0.37
TMEM97 Q5BJF2 1/20 0.37
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
RORC P51449 3/20 0.36
PDE2A O00408 2/20 0.35
PROKR1 Q8TCW9 1/20 0.34
TACR1 P25103 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
SCHEMBL621875 1.00 PLG (0.39) PLGSIGMAR1TMEM97MEN1TSHR
SCHEMBL581447 1.00 PLG (0.39) PLGSIGMAR1TMEM97MEN1TSHR
SCHEMBL581947 1.00 PLG (0.39) PLGSIGMAR1TMEM97MEN1TSHR
SCHEMBL582098 0.93 PLG (0.41) PLGSIGMAR1TMEM97MEN1TSHR
SCHEMBL581303 0.92 PLG (0.40) PLGSIGMAR1TMEM97TACR1
SCHEMBL581304 0.92 PLG (0.40) PLGSIGMAR1TMEM97TACR1
SCHEMBL3079068 0.89 PLG (0.42) PLGSIGMAR1TMEM97RORC
SCHEMBL582807 0.89 PLG (0.40) PLGSIGMAR1TMEM97MEN1TSHR
SCHEMBL581928 0.89 PLG (0.42) PLGSIGMAR1TMEM97RORC
SCHEMBL587149 0.89 PLG (0.42) PLGSIGMAR1TMEM97RORC

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 4861/4885SIGMAR1 17/4885TMEM97 1411/4885

“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.