SCHEMBL587041

SCHEMBL587041

CCOC(=O)C1CCN(C(=O)O)C(C(N)=O)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
MAPT P10636 2/20 0.46
ALDH1A1 P00352 7/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHRM1 P11229 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.40
PKM P14618 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL13103706 0.82 GAA (0.45) GAAMAPTALDH1A1CYP3A4CYP2D6
SCHEMBL13094500 0.80 SMN1; SMN2 (0.56) MAPTCYP2C19MEN1KMT2AKDM4E
SCHEMBL6848457 0.77 MAPT (0.46) GAAMAPTALDH1A1CYP3A4CYP2D6
SCHEMBL615936 0.76 CYP3A4 (0.45) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL28198189 0.72 FKBP1A (0.57) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL10499214 0.72 MAPT (0.53) GAAMAPTALDH1A1CYP3A4CYP2D6
SCHEMBL900124 0.72 MAPT (0.70) GAAMAPTALDH1A1CYP3A4CYP2D6
SCHEMBL8300090 0.72 EPHX1 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8300088 0.72 EPHX1 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL24023407 0.71 MEN1 (0.40) GAAMAPTALDH1A1CYP3A4CYP2C19

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 GAA 4714/4885MAPT 4513/4885ALDH1A1 2598/4885

“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.