SCHEMBL586946

SCHEMBL586946

COC(=O)C1CCN(C(=O)OC)C(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
MAPK1 P28482 2/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 2/20 0.42
CYP3A4 P08684 2/20 0.39
NOTUM Q6P988 1/20 0.39
ROCK2 O75116 1/20 0.38
DEGS1 O15121 1/20 0.36

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
SCHEMBL586674 0.96 NOTUM (0.44) TDP1MAPK1GAAKDM4EALDH1A1
SCHEMBL2859600 0.91 MAPT (0.43) TDP1MAPK1GAAKDM4EALDH1A1
SCHEMBL582132 0.91 NOTUM (0.47) TDP1MAPK1GAAKDM4EALDH1A1
SCHEMBL5258300 0.91 TDP1 (0.45) TDP1MAPK1GAAKDM4EALDH1A1
SCHEMBL586744 0.89 SLC6A2 (0.46) TDP1KDM4EALDH1A1MAPTCYP3A4
SCHEMBL587352 0.86 SLC6A3 (0.44)
SCHEMBL586920 0.86 MAPT (0.42) TDP1MAPK1GAAKDM4EALDH1A1
SCHEMBL586480 0.84 TACR1 (0.42) TDP1MAPTCYP3A4
SCHEMBL587444 0.84 SMN1; SMN2 (0.47)
SCHEMBL582040 0.84 ALDH1A1 (0.48) GAAALDH1A1MAPT

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 TDP1 3355/4885MAPK1 1966/4885GAA 4714/4885

“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.