SCHEMBL3083072

SCHEMBL3083072

CCOC(=O)CC(=O)[C@@H]1CCN(C(=O)OC)[C@H](Cc2cccc(F)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 4/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
GLA P06280 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
CACNA1G O43497 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRIN2B Q13224 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
SCHEMBL580881 1.00 KMT2A (0.41) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL582368 1.00 KMT2A (0.41) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL586704 0.96 KMT2A (0.39) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL586703 0.96 KMT2A (0.39) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL581176 0.90 CHRM1 (0.38) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL3085316 0.90 CHRM1 (0.38) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL3069035 0.90 CHRM1 (0.38) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL582086 0.88 PPARG (0.40) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL3075705 0.88 PPARG (0.40) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL3075222 0.88 PPARG (0.40) KMT2AMEN1POLBALDH1A1KDM4E

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 3757/4885LMNA 3853/4885

“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.