SCHEMBL582009

SCHEMBL582009

CCOC(=O)CC(=O)[C@H]1CCN(C(=O)OC)[C@H](c2ccc(OC(F)(F)F)cc2F)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
ENPP2 Q13822 2/20 0.39
HCRTR2 O43614 3/20 0.37
FFAR4 Q5NUL3 2/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NOTUM Q6P988 1/20 0.35
CHRM4 P08173 1/20 0.35
HSD11B1 P28845 1/20 0.35
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HCRTR1 O43613 2/20 0.34
EPHX2 P34913 2/20 0.34
CFD P00746 1/20 0.33

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
SCHEMBL582008 1.00 POLB (0.42) POLBENPP2HCRTR2FFAR4ALDH1A1
SCHEMBL582329 1.00 POLB (0.42) POLBENPP2HCRTR2FFAR4ALDH1A1
SCHEMBL581486 0.97 FFAR4 (0.40) POLBENPP2HCRTR2FFAR4ALDH1A1
SCHEMBL581952 0.88 POLB (0.43) POLBENPP2HCRTR2FFAR4ALDH1A1
SCHEMBL599010 0.88 CYP11B1 (0.39) POLBALDH1A1LMNASMN1; SMN2TMEM97
SCHEMBL581644 0.88 CYP11B1 (0.39) POLBALDH1A1LMNASMN1; SMN2TMEM97
SCHEMBL581169 0.88 CYP11B1 (0.39) POLBALDH1A1LMNASMN1; SMN2TMEM97
SCHEMBL582016 0.87 ALDH1A1 (0.44) HCRTR2ALDH1A1LMNASMN1; SMN2TMEM97
SCHEMBL581963 0.87 ALDH1A1 (0.44) HCRTR2ALDH1A1LMNASMN1; SMN2TMEM97
SCHEMBL3078690 0.85 MGLL (0.38) POLBALDH1A1LMNASMN1; SMN2

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 POLB 4067/4885ENPP2 3567/4885HCRTR2 30/4885

“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.