SCHEMBL581123

SCHEMBL581123

O=C(O)N1CCC(c2cc(=O)[nH]o2)CC1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 9/20 0.45
▸ TACR1 P25103 8/20 0.43
▸ TACR3 P29371 1/20 0.39
▸ SLC2A1 P11166 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.36
▸ LPL P06858 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL27869832 0.90 PLG (0.44) PLGTACR1
SCHEMBL586860 0.90 PLG (0.44) PLGTACR1
SCHEMBL27869791 0.90 PLG (0.44) PLGTACR1
SCHEMBL581785 0.90 PLG (0.46) PLGTACR1TACR3
SCHEMBL580987 0.89 PLG (0.58) PLG
SCHEMBL587413 0.89 PLG (0.43) PLGTACR1TACR3
SCHEMBL3068999 0.89 PLG (0.43) PLGTACR1TACR3
SCHEMBL3085052 0.89 PLG (0.43) PLGTACR1TACR3
SCHEMBL582135 0.89 PLG (0.43) PLGTACR1TACR3
SCHEMBL581779 0.89 PLG (0.43) PLGTACR1TACR3

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 4861/4885TACR1 474/4885TACR3 383/4885

“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.

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