SCHEMBL3074910

SCHEMBL3074910

COC(=O)N1CC[C@@H](c2cc(=O)[nH]o2)C[C@H]1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLG P00747 8/20 0.53
TACR1 P25103 5/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
SMYD3 Q9H7B4 5/20 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
SCHEMBL580868 1.00 PLG (0.53) PLGTACR1PSEN1PSEN2APH1B
SCHEMBL3078637 1.00 PLG (0.53) PLGTACR1PSEN1PSEN2APH1B
SCHEMBL587279 1.00 PLG (0.53) PLGTACR1PSEN1PSEN2APH1B
SCHEMBL3068771 1.00 PLG (0.53) PLGTACR1PSEN1PSEN2APH1B
SCHEMBL3075070 0.90 PLG (0.54) PLGTACR1PSEN1PSEN2APH1B
SCHEMBL581412 0.90 PLG (0.54) PLGTACR1PSEN1PSEN2APH1B
SCHEMBL581576 0.90 PLG (0.54) PLGTACR1PSEN1PSEN2APH1B
SCHEMBL581453 0.90 PLG (0.42) PLGTACR1
SCHEMBL581507 0.90 PLG (0.54) PLG
SCHEMBL3063105 0.90 PLG (0.54) PLGTACR1PSEN1PSEN2APH1B

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 PLG 4861/4885TACR1 474/4885PSEN1 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.