SCHEMBL586549

SCHEMBL586549

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 3/20 0.41
HSD11B1 P28845 1/20 0.41
NOTUM Q6P988 8/20 0.40
EPHX2 P34913 1/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
GRM5 P41594 1/20 0.37

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
SCHEMBL580928 0.87 CYP2C19 (0.39) FFAR2HSD11B1NOTUMEPHX2CYP2D6
SCHEMBL3086468 0.87 NOTUM (0.42) HSD11B1NOTUM
SCHEMBL581096 0.87 NOTUM (0.51) FFAR2NOTUMEPHX2
Hydrochloric Acid SCHEMBL580915 0.83 OPRK1 (0.35) FFAR2HSD11B1CYP2D6PKMCYP2C19
SCHEMBL582014 0.82 NOTUM (0.43) HSD11B1NOTUMEPHX2
SCHEMBL581665 0.79 NOTUM (0.49) FFAR2HSD11B1NOTUM
SCHEMBL3075498 0.78 NOTUM (0.37) NOTUMCYP2D6CYP2C19
SCHEMBL587510 0.78 NOTUM (0.40) NOTUM
SCHEMBL3075343 0.77 PLG (0.42) CYP2D6CYP2C19GRM5
SCHEMBL27869837 0.77 PLG (0.42) CYP2D6CYP2C19GRM5

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 FFAR2 226/4885HSD11B1 1197/4885NOTUM 2559/4885

“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.