SCHEMBL580595

SCHEMBL580595

COC(=O)N1CCC(C(=O)O)CC1c1ccc(C(C)(C)C)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YEATS4 O95619 1/20 0.34
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
RIPK1 Q13546 2/20 0.32
BTK Q06187 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
PDE7A Q13946 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ACKR3 P25106 1/20 0.30
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK14 Q16539 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL587318 0.91 SMN1; SMN2 (0.35) YEATS4KMT2AHSD17B10NPC1RAB9A
SCHEMBL587418 0.88 YEATS4 (0.37) YEATS4KMT2AMAPK1GAARIPK1
SCHEMBL581330 0.84 KMT2A (0.34) KMT2AMAPK1GAALMNARAB9A
SCHEMBL3080139 0.84 KMT2A (0.34) KMT2AMAPK1GAALMNARAB9A
Hydrochloric Acid SCHEMBL581382 0.80 OPRK1 (0.30) ALDH1A1
SCHEMBL581263 0.78 SLC6A2 (0.41) KMT2ARIPK1NPC1RAB9ASMN1; SMN2
SCHEMBL581721 0.76 PLG (0.41) KDM4E
SCHEMBL3073977 0.76 PLG (0.41) KDM4E
SCHEMBL582155 0.75 RIPK1 (0.47) KMT2ARIPK1NPC1RAB9ASMN1; SMN2
SCHEMBL581709 0.74 RIPK1 (0.39) KMT2ARIPK1ALDH1A1

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 6 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
CN-102459246-A Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2012-05-16 CN 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 YEATS4 354/4885KMT2A 3820/4885MAPK1 1966/4885

“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.