SCHEMBL581930

SCHEMBL581930

COC(=O)N1CCC(C(=O)O)CC1Cc1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.42
CYP27A1 Q02318 1/20 0.41
CYP24A1 Q07973 1/20 0.41
EPHX2 P34913 9/20 0.41
CYP2C9 P11712 5/20 0.41
MAPT P10636 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NOTUM Q6P988 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL587229 0.92 KDM4E (0.48) KDM4EALDH1A1POLBCYP27A1CYP24A1
SCHEMBL581177 0.90 KDM4E (0.47) KDM4EALDH1A1POLBCYP27A1CYP24A1
SCHEMBL582183 0.88 KDM4E (0.45) KDM4EALDH1A1POLBEPHX2CYP2C9
SCHEMBL581906 0.86 NOTUM (0.41) KDM4EALDH1A1POLBMAPTSIGMAR1
SCHEMBL581424 0.85 KDM4E (0.50) KDM4EALDH1A1EPHX2CYP2C9MAPT
SCHEMBL581437 0.85 KDM4E (0.50) KDM4EALDH1A1EPHX2CYP2C9MAPT
SCHEMBL3075831 0.85 KDM4E (0.50) KDM4EALDH1A1EPHX2CYP2C9MAPT
SCHEMBL587215 0.82 ALDH1A1 (0.42) KDM4EALDH1A1POLBMAPTNPSR1
SCHEMBL580852 0.82 PSEN1 (0.49) ALDH1A1POLBMAPTNPSR1
SCHEMBL581282 0.81 TACR1 (0.46) MAPTSIGMAR1NOTUM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459246-B Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2014-05-07 CN disclosed
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 KDM4E 2668/4885ALDH1A1 2598/4885POLB 4067/4885

“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.