SCHEMBL587510

SCHEMBL587510

O=C(O)C1CCN(C(=O)O)C(c2ccc(Cl)c(F)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 13/20 0.40
CHRNA3 P32297 1/20 0.38
RAB9A P51151 1/20 0.36
RIPK1 Q13546 1/20 0.36
MGLL Q99685 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
SCHEMBL582066 0.88 SLC6A9 (0.40) NOTUM
SCHEMBL580878 0.87 OPRK1 (0.40) NOTUMCHRNA3
SCHEMBL581861 0.86 NOTUM (0.38) NOTUMRAB9AMGLL
Hydrochloric Acid SCHEMBL581844 0.83 OPRK1 (0.36) CHRNA3
SCHEMBL581460 0.83 KDM1A (0.46) NOTUMCHRNA3
SCHEMBL3081192 0.83 NOTUM (0.37) NOTUMRIPK1
SCHEMBL3072715 0.81 NOTUM (0.49) NOTUMMGLL
SCHEMBL581665 0.81 NOTUM (0.49) NOTUMRIPK1
SCHEMBL580960 0.79 NOTUM (0.50) NOTUMRAB9A
SCHEMBL3087105 0.79 NOTUM (0.40) NOTUM

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 2559/4885CHRNA3 261/4885RAB9A 3760/4885

“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.