SCHEMBL582096

SCHEMBL582096

O=C(O)C1CCN(C(=O)O)C(Cc2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
FFAR4 Q5NUL3 3/20 0.44
HRH3 Q9Y5N1 2/20 0.43
EPHX2 P34913 2/20 0.41
HSD11B1 P28845 1/20 0.41
MGLL Q99685 1/20 0.40
HTR2C P28335 1/20 0.40
POLB P06746 1/20 0.40
CHRM4 P08173 1/20 0.39
LIPE Q05469 1/20 0.39
TACR1 P25103 1/20 0.39
KMT2A Q03164 1/20 0.39
S1PR5 Q9H228 1/20 0.39
ENPP2 Q13822 1/20 0.39
CCR5 P51681 1/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL581415 0.89 NOTUM (0.43) NOTUMFFAR4HRH3EPHX2HTR2C
SCHEMBL581462 0.84 NOTUM (0.49) NOTUMHRH3TACR1
SCHEMBL580893 0.83 NOTUM (0.46) NOTUMHSD11B1HTR2CS1PR5
SCHEMBL6952343 0.81 L3MBTL1 (0.49) NOTUMHSD11B1POLBTACR1
SCHEMBL581869 0.80 NOTUM (0.46) NOTUMTACR1S1PR5CCR5
SCHEMBL581854 0.80 POLB (0.43) NOTUMFFAR4HRH3EPHX2POLB
SCHEMBL587859 0.80 POLB (0.44) HRH3EPHX2HSD11B1HTR2CPOLB
SCHEMBL580965 0.77 NOTUM (0.43) NOTUMEPHX2TACR1
SCHEMBL582219 0.77 ALDH1A1 (0.43) NOTUMHSD11B1TACR1
SCHEMBL587177 0.77 PLG (0.43) HRH3HTR2CTACR1KMT2ACCR5

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 NOTUM 2559/4885FFAR4 10/4885HRH3 394/4885

“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.