SCHEMBL587229

SCHEMBL587229

COC(=O)C1CCN(C(=O)OC)C(Cc2ccccc2C(F)(F)F)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
EPHX2 P34913 7/20 0.41
CYP2C9 P11712 6/20 0.41
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP27A1 Q02318 1/20 0.39
CYP24A1 Q07973 1/20 0.39
ACHE P22303 1/20 0.39
PGR P06401 1/20 0.39
CYP2D6 P10635 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL581930 0.92 KDM4E (0.46) KDM4EALDH1A1EPHX2CYP2C9MAPT
SCHEMBL586962 0.86 ALDH1A1 (0.42) KDM4EALDH1A1MAPTPOLBHPGD
SCHEMBL581424 0.85 KDM4E (0.50) KDM4EALDH1A1EPHX2CYP2C9MAPT
SCHEMBL581437 0.85 KDM4E (0.50) KDM4EALDH1A1EPHX2CYP2C9MAPT
SCHEMBL3075831 0.85 KDM4E (0.50) KDM4EALDH1A1EPHX2CYP2C9MAPT
SCHEMBL581177 0.82 KDM4E (0.47) KDM4EALDH1A1EPHX2CYP2C9POLB
SCHEMBL587215 0.82 ALDH1A1 (0.42) KDM4EALDH1A1MAPTPOLBHPGD
SCHEMBL586823 0.81 TACR1 (0.44) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL587185 0.81 OPRK1 (0.42) ALDH1A1EPHX2MAPTHPGDNPSR1
SCHEMBL586714 0.79 TACR1 (0.46) ALDH1A1MAPTHPGDNPSR1HSD17B10

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
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 US disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO 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 2598/4885EPHX2 3080/4885

“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.