SCHEMBL3235501

SCHEMBL3235501

CC(=O)Oc1cccc(/C=C/[N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 8/20 0.68
▸ TLR4 O00206 7/20 0.62
▸ TLR2 O60603 7/20 0.62
▸ VCP P55072 2/20 0.59
▸ TERT O14746 1/20 0.57
▸ MAOA P21397 3/20 0.56
▸ MAOB P27338 3/20 0.56
▸ EGFR P00533 1/20 0.53
▸ ERBB2 P04626 1/20 0.53

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
SCHEMBL3235505 1.00 FBP1 (0.68) FBP1TLR4TLR2VCPTERT
SCHEMBL6584626 0.85 TLR4 (0.64) FBP1TLR4TLR2VCPTERT
SCHEMBL31287227 0.81 FBP1 (1.00) FBP1TLR4TLR2VCPTERT
SCHEMBL278627 0.81 FBP1 (1.00) FBP1TLR4TLR2VCPTERT
SCHEMBL792987 0.81 FBP1 (1.00) FBP1TLR4TLR2VCPTERT
SCHEMBL8765211 0.81 FBP1 (1.00) FBP1TLR4TLR2VCPTERT
SCHEMBL6041047 0.81 FBP1 (0.65) FBP1TLR4TLR2VCPEGFR
SCHEMBL11525619 0.81 FBP1 (0.65) FBP1TLR4TLR2VCPEGFR
SCHEMBL23343707 0.80 CYP3A4 (0.56) MAOB
SCHEMBL716895 0.80 KMT2A (0.60) —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745438-B2 3-(2-acylamino-1-hydroxyethyl)-morpholine derivatives and their use as bace inhibitors ELI LILLY AND COMPANY (US) 2010-06-29 — — US disclosed
EP-2091928-A2 3-(2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2009-08-26 — — EP disclosed
US-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 — — US disclosed
WO-2006034093-A2 3- (2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELLI LILLY AND COMPANY (US) 2006-03-30 — — WO 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-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors BACE1, BACE2, APP FBP1 2487/4885TLR4 4875/4885TLR2 4732/4885

“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.

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