SCHEMBL581759

SCHEMBL581759

COC(=O)N1CCC(C(=O)O)CC1Cc1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.40
EPHX2 P34913 3/20 0.39
TACR1 P25103 6/20 0.39
OPRK1 P41145 2/20 0.38
RORC P51449 1/20 0.37
XIAP P98170 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
CA12 O43570 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
SCHEMBL587185 0.92 OPRK1 (0.42) EPHX2TACR1OPRK1
SCHEMBL581092 0.89 ALDH1A1 (0.44) OPRK1CA1CA2CA9CA12
SCHEMBL580965 0.89 NOTUM (0.43) NOTUMEPHX2TACR1RORCXIAP
SCHEMBL581386 0.86 EPHX2 (0.43) EPHX2TACR1OPRK1PPARGPPARD
SCHEMBL582479 0.86 EPHX2 (0.43) EPHX2TACR1OPRK1PPARGPPARD
SCHEMBL581385 0.86 EPHX2 (0.43) EPHX2TACR1OPRK1PPARGPPARD
SCHEMBL581527 0.84 TACR1 (0.46) NOTUMTACR1
SCHEMBL581783 0.84 TACR1 (0.46) NOTUMTACR1
SCHEMBL581282 0.84 TACR1 (0.46) NOTUMTACR1
SCHEMBL581526 0.84 TACR1 (0.46) 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 5 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
CN-102459246-A Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2012-05-16 CN 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 3080/4885TACR1 474/4885

“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.