SCHEMBL580897

SCHEMBL580897

COC(=O)N1CCC(C(=O)O)CC1Cc1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ACHE P22303 1/20 0.37
CYP3A4 P08684 4/20 0.37
HCRTR2 O43614 2/20 0.37
RORC P51449 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36

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
SCHEMBL587414 0.91 SMN1; SMN2 (0.42) SMN1; SMN2KDM4ETSHRPOLBALDH1A1
SCHEMBL581906 0.87 NOTUM (0.41) SMN1; SMN2KDM4EPOLBNOTUMALDH1A1
SCHEMBL582198 0.87 NOTUM (0.43) SMN1; SMN2KDM4ETSHRPOLBNOTUM
SCHEMBL581529 0.84 KDM4E (0.44) SMN1; SMN2KDM4ETSHRPOLBALDH1A1
SCHEMBL3075699 0.84 KDM4E (0.44) SMN1; SMN2KDM4ETSHRPOLBALDH1A1
SCHEMBL3081096 0.84 KDM4E (0.44) SMN1; SMN2KDM4ETSHRPOLBALDH1A1
SCHEMBL587215 0.84 ALDH1A1 (0.42) SMN1; SMN2KDM4EPOLBNOTUMALDH1A1
SCHEMBL582162 0.83 KMT2A (0.43) SMN1; SMN2POLBALDH1A1KMT2AACHE
SCHEMBL580852 0.83 PSEN1 (0.49) SMN1; SMN2POLBALDH1A1NPC1RAB9A
SCHEMBL580834 0.82 NOTUM (0.41) SMN1; SMN2TSHRNOTUMALDH1A1KMT2A

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 SMN1; SMN2 2619/4885KDM4E 2668/4885TSHR 92/4885

“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.