SCHEMBL580960

SCHEMBL580960

O=C(O)C1CCN(C(=O)O)C(c2cc(Cl)cc(Cl)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.50
MAPT P10636 1/20 0.39
GRM4 Q14833 1/20 0.36
AKR1C3 P42330 2/20 0.36
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 1/20 0.34
AKR1C1 Q04828 1/20 0.34
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3072715 0.85 NOTUM (0.49) NOTUMMAPTAKR1C3
SCHEMBL580596 0.85 NOTUM (0.45) NOTUMMAPTGRM4SMN1; SMN2EPHX2
SCHEMBL581861 0.85 NOTUM (0.38) NOTUMMAPTRAB9A
SCHEMBL3081192 0.81 NOTUM (0.37) NOTUMAKR1C3AKR1C1KDM4EUSP2
SCHEMBL580929 0.80 AKR1C3 (0.51) NOTUMAKR1C3RAB9AAKR1C1
SCHEMBL582066 0.79 SLC6A9 (0.40) NOTUM
SCHEMBL587510 0.79 NOTUM (0.40) NOTUMRAB9A
SCHEMBL581096 0.78 NOTUM (0.51) NOTUMMAPTEPHX2
SCHEMBL3087105 0.77 NOTUM (0.40) NOTUMAKR1C3AKR1C1
SCHEMBL581665 0.77 NOTUM (0.49) NOTUMMAPTAKR1C3AKR1C1

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 NOTUM 2559/4885MAPT 4513/4885GRM4 128/4885

“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.