SCHEMBL581499

SCHEMBL581499

CCOC(=O)CC(=O)C1CCN(C(=O)OC)C(Cc2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
EPHX2 P34913 4/20 0.40
ENPP2 Q13822 2/20 0.40
HRH3 Q9Y5N1 2/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
KMT2A Q03164 3/20 0.37
CCR5 P51681 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
LTA4H P09960 1/20 0.36
HTR2C P28335 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL3074789 1.00 POLB (0.46) POLBSMN1; SMN2ALDH1A1LMNAEPHX2
SCHEMBL582606 1.00 POLB (0.46) POLBSMN1; SMN2ALDH1A1LMNAEPHX2
SCHEMBL581854 0.96 POLB (0.43) POLBSMN1; SMN2ALDH1A1LMNAEPHX2
SCHEMBL3074992 0.89 PPARG (0.43) POLBSMN1; SMN2ALDH1A1HRH3KMT2A
SCHEMBL581270 0.89 PPARG (0.43) POLBSMN1; SMN2ALDH1A1HRH3KMT2A
SCHEMBL582387 0.89 PPARG (0.43) POLBSMN1; SMN2ALDH1A1HRH3KMT2A
SCHEMBL582351 0.88 POLB (0.48) POLBSMN1; SMN2ALDH1A1LMNAEPHX2
SCHEMBL3075705 0.88 PPARG (0.40) POLBALDH1A1KMT2AKDM4EMEN1
SCHEMBL582086 0.88 PPARG (0.40) POLBALDH1A1KMT2AKDM4EMEN1
SCHEMBL3075222 0.88 PPARG (0.40) POLBALDH1A1KMT2AKDM4EMEN1

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 4067/4885SMN1; SMN2 2619/4885ALDH1A1 2598/4885

“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.