SCHEMBL3063147

SCHEMBL3063147

COC(=O)N1CC[C@H](c2cc(=O)[nH]o2)C[C@H]1Cc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLG P00747 10/20 0.54
ATM Q13315 2/20 0.36
CCR3 P51677 3/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL581507 1.00 PLG (0.54) PLGATMCCR3SLC6A2SLC6A4
SCHEMBL3080464 1.00 PLG (0.54) PLGATMCCR3SLC6A2SLC6A4
SCHEMBL3083188 1.00 PLG (0.54) PLGATMCCR3SLC6A2SLC6A4
SCHEMBL581825 0.91 PLG (0.43) PLGHCRTR2
SCHEMBL581435 0.91 PLG (0.43) PLGHCRTR2
SCHEMBL3069006 0.91 PLG (0.43) PLGHCRTR2
SCHEMBL3069017 0.91 PLG (0.43) PLGHCRTR2
SCHEMBL3076220 0.91 PLG (0.43) PLGHCRTR2
SCHEMBL3073126 0.91 PLG (0.43) PLG
SCHEMBL587770 0.91 PLG (0.43) PLG

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 4861/4885ATM 4354/4885CCR3 245/4885

“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.