SCHEMBL581760

SCHEMBL581760

CCOC(=O)CC(=O)[C@H]1CCN(C(=O)OC)[C@H](c2cc(F)c(Cl)c(F)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 6/20 0.34
TDP1 Q9NUW8 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALOX15 P16050 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CXCR2 P25025 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
MGLL Q99685 1/20 0.33
PPOX P50336 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL3063338 1.00 KDM4E (0.37) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL581133 1.00 KDM4E (0.37) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL600157 0.96 KDM4E (0.35) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL3078762 0.92 ALDH1A1 (0.35) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL581047 0.92 ALDH1A1 (0.35) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL3074921 0.92 ALDH1A1 (0.35) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL581402 0.89 SMN1; SMN2 (0.38) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL3069685 0.89 SMN1; SMN2 (0.38) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL581403 0.89 SMN1; SMN2 (0.38) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL3075515 0.89 GAA (0.35) KDM4ETSHRSMN1; SMN2ALDH1A1MEN1

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 2668/4885TSHR 92/4885SMN1; SMN2 2619/4885

“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.