SCHEMBL581827

SCHEMBL581827

CCOC(=O)CC(=O)[C@H]1CCN(C(=O)OC)[C@H](c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.42
BRD4 O60885 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
HCRTR2 O43614 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 2/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL581826 1.00 RIPK1 (0.42) RIPK1BRD4SMN1; SMN2KDM4ENPC1
SCHEMBL581935 1.00 RIPK1 (0.42) RIPK1BRD4SMN1; SMN2KDM4ENPC1
SCHEMBL586556 0.97 RIPK1 (0.40) RIPK1BRD4SMN1; SMN2KDM4ENPC1
SCHEMBL3075410 0.89 KMT2A (0.43) KDM4EMEN1KMT2AGAAALDH1A1
SCHEMBL580925 0.89 KMT2A (0.43) KDM4EMEN1KMT2AGAAALDH1A1
SCHEMBL3073621 0.89 GAA (0.40) SMN1; SMN2KDM4EMEN1KMT2AGAA
SCHEMBL3072815 0.89 GAA (0.40) SMN1; SMN2KDM4EMEN1KMT2AGAA
SCHEMBL3075467 0.89 KMT2A (0.43) KDM4EMEN1KMT2AGAAALDH1A1
SCHEMBL581313 0.89 GAA (0.40) SMN1; SMN2KDM4EMEN1KMT2AGAA
SCHEMBL581776 0.87 MEN1 (0.44) RIPK1SMN1; SMN2MEN1KMT2AGAA

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 RIPK1 4457/4885BRD4 208/4885SMN1; SMN2 2619/4885

“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.