SCHEMBL3076465

SCHEMBL3076465

CCOC(=O)CC(=O)[C@@H]1CCN(C(=O)OC)[C@H](Cc2cc(F)ccc2F)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TDP1 Q9NUW8 1/20 0.42
DPP4 P27487 4/20 0.39
DPP7 Q9UHL4 3/20 0.39
DPP8 Q6V1X1 3/20 0.39
DPP9 Q86TI2 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ECE1 P42892 1/20 0.37
MAPT P10636 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
HCRTR2 O43614 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 2/20 0.35
CHRM1 P11229 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL3080101 1.00 ALDH1A1 (0.42) ALDH1A1TDP1DPP4DPP7DPP8
SCHEMBL581683 1.00 ALDH1A1 (0.42) ALDH1A1TDP1DPP4DPP7DPP8
SCHEMBL581488 0.93 ALDH1A1 (0.49) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL3081361 0.93 ALDH1A1 (0.49) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL3075396 0.93 ALDH1A1 (0.49) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL581773 0.89 ALDH1A1 (0.43) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL3073509 0.89 ALDH1A1 (0.43) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL582199 0.89 ALDH1A1 (0.43) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL582882 0.87 ALDH1A1 (0.44) ALDH1A1TDP1DPP4DPP7DPP8
SCHEMBL582086 0.86 PPARG (0.40) ALDH1A1TDP1KDM4EMEN1KMT2A

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 2598/4885TDP1 3355/4885DPP4 754/4885

“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.