SCHEMBL3075467

SCHEMBL3075467

CCOC(=O)CC(=O)[C@H]1CCN(C(=O)OC)[C@H](c2ccc(F)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 5/20 0.40
CHRM1 P11229 1/20 0.39
ACHE P22303 3/20 0.38
BCHE P06276 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
UBE2N P61088 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 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
SCHEMBL3075410 1.00 KMT2A (0.43) KMT2AMEN1MAPK1HTTALDH1A1
SCHEMBL580925 1.00 KMT2A (0.43) KMT2AMEN1MAPK1HTTALDH1A1
SCHEMBL3073621 0.89 GAA (0.40) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL581313 0.89 GAA (0.40) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL3072815 0.89 GAA (0.40) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL581826 0.89 RIPK1 (0.42) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL581827 0.89 RIPK1 (0.42) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL581935 0.89 RIPK1 (0.42) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL580838 0.89 ALDH1A1 (0.43) KMT2AMEN1MAPK1HTTALDH1A1
SCHEMBL3072798 0.89 ALDH1A1 (0.43) KMT2AMEN1MAPK1HTTALDH1A1

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 2 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
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 KMT2A 3820/4885MEN1 3757/4885MAPK1 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.