SCHEMBL581096

SCHEMBL581096

O=C(O)C1CCN(C(=O)O)C(c2ccc(Cl)cc2Cl)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.51
EPHX2 P34913 1/20 0.44
MAPT P10636 1/20 0.42
DPP4 P27487 2/20 0.41
CNR1 P21554 4/20 0.40
CNR2 P34972 3/20 0.40
FFAR1 O14842 1/20 0.40
FFAR2 O15552 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
AGTR1 P30556 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL582014 0.87 NOTUM (0.43) NOTUMEPHX2MAPTDPP4KMT2A
SCHEMBL586549 0.87 FFAR2 (0.41) NOTUMEPHX2FFAR2
SCHEMBL580828 0.87 CYP2C9 (0.50) NOTUMEPHX2DPP4CNR1CNR2
SCHEMBL3072715 0.81 NOTUM (0.49) NOTUMMAPTFFAR2MEN1KMT2A
SCHEMBL11409954 0.81 GAA (0.47) NOTUMCNR1CNR2GAATSHR
SCHEMBL580960 0.78 NOTUM (0.50) NOTUMEPHX2MAPT
SCHEMBL26665056 0.77 SIGMAR1 (0.48)
SCHEMBL26665054 0.77 SIGMAR1 (0.48)
SCHEMBL587439 0.77 CYP2C9 (0.50) NOTUMMAPTCNR1CNR2GAA
SCHEMBL581319 0.77 DPP4 (0.43) NOTUMEPHX2DPP4GAAMEN1

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 2559/4885EPHX2 3080/4885MAPT 4513/4885

“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.