SCHEMBL581397

SCHEMBL581397

O=C(O)C1CCN(C(=O)O)C(Cc2ccc(F)cc2F)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
DPP4 P27487 2/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
NOTUM Q6P988 1/20 0.39
EPHX2 P34913 1/20 0.38
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
GPR6 P46095 3/20 0.37
DRD2 P14416 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 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
SCHEMBL581222 0.90 DPP4 (0.47) ALDH1A1TDP1DPP4DPP8DPP9
SCHEMBL582105 0.88 ALDH1A1 (0.45) ALDH1A1TDP1DPP4DPP8DPP9
SCHEMBL580959 0.85 NOTUM (0.45) ALDH1A1TDP1DPP4DPP8DPP7
SCHEMBL580893 0.82 NOTUM (0.46) ALDH1A1NOTUMHTR2AHTR2CSMN1; SMN2
SCHEMBL581780 0.81 SIGMAR1 (0.41) ALDH1A1SIGMAR1KDM4E
SCHEMBL587768 0.80 NOTUM (0.37) SIGMAR1NOTUM
SCHEMBL582219 0.79 ALDH1A1 (0.43) ALDH1A1DPP4DPP8SIGMAR1NOTUM
SCHEMBL587394 0.79 TACR1 (0.35) ALDH1A1NOTUMSMN1; SMN2
SCHEMBL582198 0.79 NOTUM (0.43) ALDH1A1SIGMAR1NOTUMKDM4ESMN1; SMN2
SCHEMBL586861 0.78 ALDH1A1 (0.47) ALDH1A1TDP1DPP4DPP8DPP9

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 2598/4885TDP1 3355/4885DPP4 754/4885

“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.