SCHEMBL582219

SCHEMBL582219

O=C(O)C1CCN(C(=O)O)C(Cc2ccc(F)c(F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
SIGMAR1 Q99720 2/20 0.39
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 2/20 0.37
NOTUM Q6P988 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
TACR1 P25103 2/20 0.36
GAA P10253 1/20 0.36
ALPG P10696 1/20 0.36
GFER P55789 1/20 0.36
HSD11B1 P28845 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 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
SCHEMBL580965 0.87 NOTUM (0.43) NOTUMTACR1
SCHEMBL581092 0.87 ALDH1A1 (0.44) ALDH1A1SIGMAR1KDM4ERAB9A
SCHEMBL587394 0.87 TACR1 (0.35) ALDH1A1RAB9ANOTUML3MBTL1TACR1
SCHEMBL580893 0.86 NOTUM (0.46) ALDH1A1TSHRNOTUMHSD11B1
SCHEMBL581780 0.84 SIGMAR1 (0.41) ALDH1A1SIGMAR1KDM4EL3MBTL1TACR1
SCHEMBL587768 0.83 NOTUM (0.37) SIGMAR1NOTUML3MBTL1TACR1HSD11B1
SCHEMBL581869 0.83 NOTUM (0.46) TSHRNOTUMDPP4TACR1
SCHEMBL581222 0.81 DPP4 (0.47) ALDH1A1SIGMAR1NOTUMDPP4DPP8
SCHEMBL6952343 0.81 L3MBTL1 (0.49) RAB9ANOTUML3MBTL1TACR1HSD11B1
SCHEMBL581462 0.80 NOTUM (0.49) SIGMAR1NOTUMDPP4DPP8TACR1

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 ALDH1A1 2598/4885SIGMAR1 17/4885KDM4E 2668/4885

“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.