SCHEMBL581848

SCHEMBL581848

CCOC(=O)CC(=O)[C@H]1CCN(C(=O)OC)[C@H](Cc2cc(F)c(F)c(F)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 4/20 0.35
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RECQL P46063 1/20 0.33
P2RX7 Q99572 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HCRTR2 O43614 1/20 0.32
CHRM1 P11229 3/20 0.32
OPRK1 P41145 1/20 0.32
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL3069038 1.00 ALDH1A1 (0.39) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL581046 1.00 ALDH1A1 (0.39) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL581176 0.91 CHRM1 (0.38) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL3085316 0.91 CHRM1 (0.38) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL3069035 0.91 CHRM1 (0.38) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL3074901 0.90 ALDH1A1 (0.48) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL582790 0.90 ALDH1A1 (0.48) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL3076755 0.90 ALDH1A1 (0.48) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL582086 0.87 PPARG (0.40) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL3075705 0.87 PPARG (0.40) ALDH1A1KDM4ETDP1MEN1KMT2A

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 ALDH1A1 2598/4885KDM4E 2668/4885TDP1 3355/4885

“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.