SCHEMBL580802

SCHEMBL580802

Cn1nnc(C2CC(C(=O)O)CCN2C(=O)OCc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SIGMAR1 Q99720 7/20 0.46
TMEM97 Q5BJF2 6/20 0.46
ACE2 Q9BYF1 1/20 0.45
CYP2C19 P33261 1/20 0.44

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
SCHEMBL586771 0.91 SIGMAR1 (0.43) SMN1; SMN2NPC1RAB9ASIGMAR1TMEM97
SCHEMBL2996181 0.88 TMEM97 (0.51) SIGMAR1TMEM97ACE2
SCHEMBL2996185 0.88 TMEM97 (0.51) SIGMAR1TMEM97ACE2
SCHEMBL582341 0.87 SIGMAR1 (0.45) SIGMAR1TMEM97
SCHEMBL586903 0.82 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ASIGMAR1TMEM97
SCHEMBL28565328 0.81 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ASIGMAR1TMEM97
SCHEMBL582233 0.80 SIGMAR1 (0.47) SIGMAR1TMEM97
SCHEMBL29284593 0.77 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL29284592 0.77 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL15017542 0.77 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19

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 SMN1; SMN2 2619/4885NPC1 497/4885RAB9A 3760/4885

“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.