SCHEMBL586528

SCHEMBL586528

CCOC(=O)C1CCN(C(=O)OCc2ccccc2)C(c2nnn[nH]2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 5/20 0.46
SIGMAR1 Q99720 5/20 0.46
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL587855 0.90 TMEM97 (0.39) TMEM97SIGMAR1PKMNPSR1NPC1
SCHEMBL587226 0.84 POLB (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL13103714 0.83 ALDH1A1 (0.35) NPC1RAB9AALDH1A1MAPT
SCHEMBL586922 0.81 ALDH1A1 (0.49) TMEM97SIGMAR1PKMNPSR1NPC1
SCHEMBL4521587 0.81 TMEM97 (0.49) TMEM97SIGMAR1NPSR1NPC1RAB9A
SCHEMBL672317 0.81 TMEM97 (0.49) TMEM97SIGMAR1NPSR1NPC1RAB9A
SCHEMBL13246605 0.81 TMEM97 (0.49) TMEM97SIGMAR1NPSR1NPC1RAB9A
SCHEMBL13094500 0.76 SMN1; SMN2 (0.56) PKMNPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL587386 0.75 PKM (0.48) PKMNPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL630697 0.73 SMN1; SMN2 (0.73) PKMNPSR1NPC1RAB9ASMN1; 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 6 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
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
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 TMEM97 1411/4885SIGMAR1 17/4885PKM 4789/4885

“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.