SCHEMBL580965

SCHEMBL580965

O=C(O)C1CCN(C(=O)O)C(Cc2ccc(C(F)(F)F)c(F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.43
TACR1 P25103 5/20 0.40
RORC P51449 1/20 0.37
EPHX2 P34913 2/20 0.36
KDM1A O60341 1/20 0.35
KIF11 P52732 1/20 0.35
KCNH2 Q12809 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
DAO P14920 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
XIAP P98170 1/20 0.34

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
SCHEMBL581759 0.89 NOTUM (0.40) NOTUMTACR1RORCEPHX2XIAP
SCHEMBL582219 0.87 ALDH1A1 (0.43) NOTUMTACR1
SCHEMBL581462 0.82 NOTUM (0.49) NOTUMTACR1KCNH2
SCHEMBL587394 0.82 TACR1 (0.35) NOTUMTACR1
SCHEMBL3075266 0.81 TACR1 (0.50) NOTUMTACR1
SCHEMBL580893 0.81 NOTUM (0.46) NOTUM
SCHEMBL587185 0.80 OPRK1 (0.42) TACR1EPHX2KCNH2GPR119
SCHEMBL581780 0.79 SIGMAR1 (0.41) TACR1
SCHEMBL580910 0.79 TACR1 (0.45) NOTUMTACR1
SCHEMBL587768 0.78 NOTUM (0.37) NOTUMTACR1

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 2559/4885TACR1 474/4885RORC 1019/4885

“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.