SCHEMBL13416257

SCHEMBL13416257

NC(CO)C(=O)Oc1cccc(CCON(O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 12/20 0.43
▸ ALOX5 P09917 1/20 0.36
▸ SLC7A5 Q01650 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL13416241 0.93 ACHE (0.41) ACHE
SCHEMBL13416416 0.88 ACHE (0.41) ACHESLC7A5KMT2A
SCHEMBL13417055 0.86 ACHE (0.40) ACHE
SCHEMBL13416281 0.85 ACHE (0.44) ACHE
SCHEMBL13416252 0.84 PTGS2 (0.39) ALOX5
SCHEMBL13416274 0.83 ACHE (0.44) ACHE
SCHEMBL13416453 0.82 ACHE (0.41) ACHE
SCHEMBL16124570 0.82 ALOX5 (0.52) ACHEALOX5
SCHEMBL13416411 0.81 ACHE (0.40) ACHEKMT2A
SCHEMBL13396357 0.81 ALOX5 (0.44) ACHEALOX5SLC7A5

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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 — — US disclosed
WO-2008095841-A2 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2008-08-14 — — 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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 ACHE 540/4885ALOX5 72/4885SLC7A5 4181/4885

“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.

Send feedback