SCHEMBL3086468

SCHEMBL3086468

O=C(O)C1CCN(C(=O)O)C(c2ccc(F)cc2F)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.42
SLC6A9 P48067 10/20 0.41
HTT P42858 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
TP53 P04637 1/20 0.37
TACR1 P25103 1/20 0.37
RORC P51449 1/20 0.37
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL582014 0.87 NOTUM (0.43) NOTUMDPP4HSD11B1
SCHEMBL586549 0.87 FFAR2 (0.41) NOTUMHSD11B1
SCHEMBL581326 0.87 TP53 (0.41) NOTUMSLC6A9HTTTP53ALDH1A1
SCHEMBL582163 0.85 NOTUM (0.46) NOTUMSLC6A9TACR1HSD11B1
SCHEMBL3075498 0.85 NOTUM (0.37) NOTUMDPP4DPP8DPP9DPP7
SCHEMBL587829 0.83 DPP4 (0.38) NOTUMSLC6A9HTTDPP4DPP8
Hydrochloric Acid SCHEMBL580918 0.82 DPP4 (0.34) SLC6A9DPP4DPP8DPP9DPP7
SCHEMBL586675 0.82 FFAR4 (0.50) NOTUMDPP4DPP8DPP7HSD11B1
SCHEMBL581665 0.81 NOTUM (0.49) NOTUMSLC6A9HSD11B1ALDH1A1
SCHEMBL28032451 0.81 SLC6A9 (0.41) SLC6A9TP53TACR1ALDH1A1TDP1

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 NOTUM 2559/4885SLC6A9 1336/4885HTT 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.