SCHEMBL3075396

SCHEMBL3075396

CCOC(=O)CC(=O)[C@@H]1CCN(C(=O)OC)[C@H](Cc2ccc(F)cc2F)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
P2RY12 Q9H244 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 2/20 0.35
CYP2C19 P33261 2/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR2A P28223 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL581488 1.00 ALDH1A1 (0.49) ALDH1A1TDP1SMN1; SMN2KDM4EMEN1
SCHEMBL3081361 1.00 ALDH1A1 (0.49) ALDH1A1TDP1SMN1; SMN2KDM4EMEN1
SCHEMBL3076465 0.93 ALDH1A1 (0.42) ALDH1A1TDP1SMN1; SMN2KDM4EMEN1
SCHEMBL581683 0.93 ALDH1A1 (0.42) ALDH1A1TDP1SMN1; SMN2KDM4EMEN1
SCHEMBL3080101 0.93 ALDH1A1 (0.42) ALDH1A1TDP1SMN1; SMN2KDM4EMEN1
SCHEMBL582199 0.89 ALDH1A1 (0.43) ALDH1A1TDP1SMN1; SMN2KDM4EMEN1
SCHEMBL3073509 0.89 ALDH1A1 (0.43) ALDH1A1TDP1SMN1; SMN2KDM4EMEN1
SCHEMBL581773 0.89 ALDH1A1 (0.43) ALDH1A1TDP1SMN1; SMN2KDM4EMEN1
SCHEMBL582086 0.86 PPARG (0.40) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL3075222 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 3355/4885SMN1; SMN2 2619/4885

“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.