SCHEMBL587119

SCHEMBL587119

CCOC(=O)CC(=O)C1CCN(C(=O)OCc2ccccc2)C(c2nnnn2C)C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.45
TMEM97 Q5BJF2 8/20 0.45
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL587170 0.95 SIGMAR1 (0.42) SIGMAR1TMEM97NPC1RAB9AHTT
SCHEMBL587171 0.95 SIGMAR1 (0.42) SIGMAR1TMEM97NPC1RAB9AALDH1A1
SCHEMBL586922 0.89 ALDH1A1 (0.49) SIGMAR1TMEM97NPC1RAB9AALDH1A1
SCHEMBL586903 0.87 SMN1; SMN2 (0.51) SIGMAR1TMEM97NPC1RAB9ASMN1; SMN2
SCHEMBL587054 0.85 MAPK1 (0.36) NPC1RAB9AALDH1A1
SCHEMBL582341 0.84 SIGMAR1 (0.45) SIGMAR1TMEM97HTT
SCHEMBL586771 0.82 SIGMAR1 (0.43) SIGMAR1TMEM97NPC1RAB9ASMN1; SMN2
SCHEMBL2991986 0.79 TMEM97 (0.51) SIGMAR1TMEM97
SCHEMBL2991989 0.79 TMEM97 (0.51) SIGMAR1TMEM97
SCHEMBL1162669 0.75 SMN1; SMN2 (0.67) NPC1RAB9AHTTALDH1A1SMN1; 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 SIGMAR1 17/4885TMEM97 1411/4885NPC1 497/4885

“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.