SCHEMBL3073129

SCHEMBL3073129

CCOC(=O)CC(=O)[C@H]1CCN(C(=O)OC)[C@H](c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KCNN4 O15554 1/20 0.43
CACNA1F O60840 2/20 0.41
CACNA1D Q01668 2/20 0.41
CACNA1S Q13698 2/20 0.41
CACNA1C Q13936 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HSP90AA1 P07900 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 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
SCHEMBL3062815 1.00 ALDH1A1 (0.49) ALDH1A1KCNN4CACNA1FCACNA1DCACNA1S
SCHEMBL580798 1.00 ALDH1A1 (0.49) ALDH1A1KCNN4CACNA1FCACNA1DCACNA1S
SCHEMBL581795 0.96 ALDH1A1 (0.47) ALDH1A1KCNN4CACNA1FCACNA1DCACNA1S
SCHEMBL581796 0.96 ALDH1A1 (0.47) ALDH1A1KCNN4CACNA1FCACNA1DCACNA1S
SCHEMBL581242 0.92 ALDH1A1 (0.40) ALDH1A1KCNN4KMT2ATRPV4
SCHEMBL3081049 0.89 ALDH1A1 (0.39) ALDH1A1POLBMAPK1SMN1; SMN2GAA
SCHEMBL581482 0.89 ALDH1A1 (0.39) ALDH1A1POLBMAPK1SMN1; SMN2GAA
SCHEMBL3075881 0.89 ALDH1A1 (0.39) ALDH1A1POLBMAPK1SMN1; SMN2GAA
SCHEMBL587487 0.88 ALDH1A1 (0.38) ALDH1A1KCNN4KMT2ATRPV4
SCHEMBL582518 0.88 TACR1 (0.42) ALDH1A1LMNAUSP2MAPK1HTT

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 ALDH1A1 2598/4885KCNN4 171/4885CACNA1F 2079/4885

“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.