SCHEMBL587318

SCHEMBL587318

COC(=O)C1CCN(C(=O)OC)C(c2ccc(C(C)(C)C)s2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.35
ALDH1A1 P00352 6/20 0.34
YEATS4 O95619 1/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
OPRK1 P41145 1/20 0.34
PKM P14618 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MMP1 P03956 1/20 0.33
ADAM17 P78536 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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 0.91 YEATS4 (0.34) SMN1; SMN2ALDH1A1YEATS4KMT2ANPC1
SCHEMBL581330 0.84 KMT2A (0.34) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL3080139 0.84 KMT2A (0.34) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL581382 0.80 OPRK1 (0.30) ALDH1A1OPRK1
SCHEMBL587418 0.79 YEATS4 (0.37) YEATS4MEN1KMT2A
SCHEMBL586744 0.78 SLC6A2 (0.46) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL581721 0.76 PLG (0.41) MAPTKDM4E
SCHEMBL3073977 0.76 PLG (0.41) MAPTKDM4E
SCHEMBL582040 0.74 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL587031 0.74 RIPK1 (0.36) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A

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
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 US disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO 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 2619/4885ALDH1A1 2598/4885YEATS4 354/4885

“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.