SCHEMBL587418

SCHEMBL587418

CC(C)(C)c1ccc(C2CC(C(=O)O)CCN2C(=O)O)s1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
YEATS4 O95619 1/20 0.37
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
RIPK1 Q13546 4/20 0.35
SLC6A9 P48067 5/20 0.32
NOTUM Q6P988 2/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
PDE7A Q13946 1/20 0.30
GAA P10253 1/20 0.30
ACKR3 P25106 1/20 0.30
S1PR5 Q9H228 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
SCHEMBL580595 0.88 YEATS4 (0.34) YEATS4KMT2AMAPK1RIPK1LMNA
Hydrochloric Acid SCHEMBL581382 0.84 OPRK1 (0.30)
SCHEMBL587318 0.79 SMN1; SMN2 (0.35) YEATS4KMT2AMEN1
SCHEMBL581986 0.75 RIPK1 (0.43) KMT2ARIPK1NOTUMMEN1S1PR5
SCHEMBL581807 0.75 PLG (0.43) YEATS4
SCHEMBL581689 0.72 RIPK1 (0.42) KMT2ARIPK1NOTUMMEN1
SCHEMBL10680602 0.71 MAPK1 (0.41) YEATS4KMT2AMAPK1LMNA
SCHEMBL580929 0.71 AKR1C3 (0.51) RIPK1NOTUM
SCHEMBL581665 0.68 NOTUM (0.49) KMT2ARIPK1SLC6A9NOTUM
SCHEMBL3072715 0.68 NOTUM (0.49) KMT2ANOTUMMEN1

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 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.