SCHEMBL581000

SCHEMBL581000

O=C(O)C1CCN(C(=O)O)C(C2CCCCC2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 2/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
DPP7 Q9UHL4 1/20 0.32
DPP4 P27487 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
MAPK1 P28482 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
SCHEMBL581337 0.83 SMN1; SMN2 (0.38) POLBGAANPC1RAB9ASMN1; SMN2
SCHEMBL10757334 0.80 NPC1 (0.50) POLBNPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL14740663 0.79 NPC1 (0.45) POLBNPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL13254845 0.77 NPC1 (0.51) POLBNPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL4445192 0.77 NPC1 (0.51) POLBNPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL385345 0.77 NPC1 (0.51) POLBNPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL586949 0.76 SMN1; SMN2 (0.36) POLBGAASMN1; SMN2ALDH1A1TSHR
SCHEMBL2824467 0.74 NPC1 (0.56) POLBGAANPC1RAB9ASMN1; SMN2
SCHEMBL10752905 0.74 DPP7 (0.51) POLBNPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL10591026 0.74 DPP7 (0.51) POLBNPC1RAB9ASMN1; SMN2HSD11B1

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 4067/4885GAA 4714/4885NPC1 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.