SCHEMBL587226

SCHEMBL587226

CCOC(=O)C1CCN(C(=O)O)C(c2nnn[nH]2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 7/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL13103714 0.85 ALDH1A1 (0.35) POLBMAPTALDH1A1KMT2ANPC1
SCHEMBL586528 0.84 TMEM97 (0.46) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL586708 0.77 ALDH1A1 (0.42) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL587228 0.75 ALDH1A1 (0.38) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL587041 0.69 GAA (0.48) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6848457 0.69 MAPT (0.46) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL615936 0.68 CYP3A4 (0.45) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10499214 0.67 MAPT (0.53) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL9519255 0.65 ALDH1A1 (0.39) POLBALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL900124 0.64 MAPT (0.70) POLBMAPTALDH1A1KMT2AMEN1

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 POLB 4067/4885MAPT 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.