SCHEMBL580596

SCHEMBL580596

COC(=O)N1CCC(C(=O)O)CC1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.45
STS P08842 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35
GRM4 Q14833 1/20 0.35
EPHX2 P34913 1/20 0.34
OPRK1 P41145 3/20 0.34
OPRM1 P35372 2/20 0.34
ENPP2 Q13822 1/20 0.34

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
SCHEMBL3079872 0.90 OPRK1 (0.41) NOTUMSTSCHRNB4CHRNA3SMN1; SMN2
SCHEMBL581832 0.87 NOTUM (0.44) NOTUMSMN1; SMN2MAPT
SCHEMBL580874 0.86 CHRNB4 (0.35) NOTUMCHRNB4CHRNA3OPRK1OPRM1
SCHEMBL580960 0.85 NOTUM (0.50) NOTUMSMN1; SMN2MAPTGRM4EPHX2
SCHEMBL580849 0.84 P2RX7 (0.35) NOTUMCHRNB4CHRNA3
SCHEMBL587433 0.83 SMN1; SMN2 (0.44) NOTUMSMN1; SMN2MAPT
SCHEMBL582155 0.83 RIPK1 (0.47) NOTUMSMN1; SMN2
SCHEMBL586626 0.83 OPRK1 (0.37) CHRNB4CHRNA3SMN1; SMN2MAPTOPRK1
SCHEMBL3075515 0.82 GAA (0.35) CHRNB4CHRNA3SMN1; SMN2
SCHEMBL3078571 0.82 GAA (0.35) CHRNB4CHRNA3SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459246-B Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2014-05-07 CN 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

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 NOTUM 2559/4885STS 2412/4885CHRNB4 158/4885

“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.