SCHEMBL581340

SCHEMBL581340

COC(=O)N1CCC(c2cc(=O)[nH]o2)CC1Cc1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLG P00747 10/20 0.39
CYP3A4 P08684 1/20 0.37
HTT P42858 1/20 0.37
TACR1 P25103 7/20 0.37
TACR3 P29371 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL586689 1.00 PLG (0.39) PLGCYP3A4HTTTACR1TACR3
SCHEMBL3067839 1.00 PLG (0.39) PLGCYP3A4HTTTACR1TACR3
SCHEMBL3081522 1.00 PLG (0.39) PLGCYP3A4HTTTACR1TACR3
SCHEMBL581825 0.92 PLG (0.43) PLGTACR1
SCHEMBL3069017 0.92 PLG (0.43) PLGTACR1
SCHEMBL3069006 0.92 PLG (0.43) PLGTACR1
SCHEMBL581435 0.92 PLG (0.43) PLGTACR1
SCHEMBL3076220 0.92 PLG (0.43) PLGTACR1
SCHEMBL582380 0.89 PLG (0.41) PLGTACR1TACR3
SCHEMBL587413 0.89 PLG (0.43) PLGCYP3A4TACR1TACR3

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 4861/4885CYP3A4 21/4885HTT 2375/4885

“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.