SCHEMBL582183

SCHEMBL582183

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 5/20 0.45
NOTUM Q6P988 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
ATM Q13315 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
EPHX2 P34913 4/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TACR1 P25103 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2B P41595 1/20 0.40
MAPK14 Q16539 1/20 0.40
DPP4 P27487 1/20 0.39
FAP Q12884 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 0.88 KDM4E (0.46) KDM4EALDH1A1NOTUMSIGMAR1ATM
SCHEMBL580959 0.84 NOTUM (0.45) KDM4EALDH1A1NOTUMSIGMAR1ATM
SCHEMBL6952343 0.79 L3MBTL1 (0.49) NOTUMPOLBTACR1
SCHEMBL581177 0.79 KDM4E (0.47) KDM4EALDH1A1ATMNPSR1TDP1
SCHEMBL587229 0.79 KDM4E (0.48) KDM4EALDH1A1SIGMAR1NPSR1EPHX2
SCHEMBL580965 0.78 NOTUM (0.43) NOTUMEPHX2TACR1
SCHEMBL581462 0.78 NOTUM (0.49) NOTUMSIGMAR1TDP1GAATACR1
SCHEMBL2707823 0.77 DPP4 (0.47) KDM4EALDH1A1ATMNPSR1TDP1
SCHEMBL3075266 0.77 TACR1 (0.50) ALDH1A1NOTUMSIGMAR1MEN1KMT2A
SCHEMBL582318 0.76 PLG (0.45) KDM4EALDH1A1SIGMAR1CYP2C9TACR1

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 KDM4E 2668/4885ALDH1A1 2598/4885NOTUM 2559/4885

“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.