SCHEMBL582194

SCHEMBL582194

CCOC(=O)CC(=O)[C@H]1CCN(C(=O)OC)[C@H](CC2CCC(F)(F)CC2)C1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.32
IL1B P01584 1/20 0.31
P2RX7 Q99572 1/20 0.31
CHRM1 P11229 2/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL3078365 1.00 GAA (0.32) GAAIL1BP2RX7CHRM1JAK2
SCHEMBL581649 1.00 GAA (0.32) GAAIL1BP2RX7CHRM1JAK2
SCHEMBL3085537 0.87 ALDH1A1 (0.38) GAACHRM1ALDH1A1
SCHEMBL3077113 0.87 ALDH1A1 (0.38) GAACHRM1ALDH1A1
SCHEMBL579724 0.87 ALDH1A1 (0.38) GAACHRM1ALDH1A1
SCHEMBL580791 0.83 BRD4 (0.34) IL1BP2RX7
SCHEMBL3073995 0.83 OPRK1 (0.35) GAAIL1BP2RX7ALDH1A1MAPT
SCHEMBL1287090 0.82 OPRK1 (0.31) GAA
Malonic Acid SCHEMBL587787 0.81 ALDH1A1 (0.33) GAACHRM1ALDH1A1
SCHEMBL581102 0.80 GAA (0.35) GAACHRM1ALDH1A1MAPT

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 GAA 4714/4885IL1B 4852/4885P2RX7 873/4885

“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.