SCHEMBL3075310

SCHEMBL3075310

O=C(O)C1CCN(C(=O)O)C(c2ccc(C(F)(F)F)nc2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
HDAC4 P56524 1/20 0.40
PSEN1 P49768 9/20 0.39
PSEN2 P49810 9/20 0.39
APH1B Q8WW43 9/20 0.39
NCSTN Q92542 9/20 0.39
APH1A Q96BI3 9/20 0.39
PSENEN Q9NZ42 9/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
CNR2 P34972 1/20 0.37
SLC6A9 P48067 4/20 0.37
CHRM4 P08173 1/20 0.37
NOTUM Q6P988 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
SCHEMBL581335 0.88 HRH3 (0.41) HRH3HDAC4PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL581471 0.84 HRH3 (0.35) HRH3HDAC4PSEN1PSEN2APH1B
SCHEMBL17142320 0.83 HRH3 (0.48) HRH3HDAC4PSEN1PSEN2APH1B
SCHEMBL581657 0.81 NOTUM (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL586566 0.79 HRH3 (0.41) HRH3HDAC4PSEN1PSEN2APH1B
SCHEMBL582599 0.78 HRH3 (0.35) HRH3HDAC4PSEN1PSEN2APH1B
SCHEMBL582600 0.78 HRH3 (0.35) HRH3HDAC4PSEN1PSEN2APH1B
SCHEMBL581665 0.77 NOTUM (0.49) SLC6A9NOTUM
SCHEMBL581816 0.76 PLG (0.39) HRH3HDAC4PSEN1PSEN2APH1B
SCHEMBL581460 0.76 KDM1A (0.46) TRPM8SLC6A9NOTUM

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 HRH3 394/4885HDAC4 39/4885PSEN1 4680/4885

“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.