SCHEMBL13416416

SCHEMBL13416416

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 9/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LTA4H P09960 2/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ FDFT1 P37268 1/20 0.34
▸ SLC7A5 Q01650 1/20 0.34

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
SCHEMBL13416411 0.93 ACHE (0.40) ACHEKMT2ASMN1; SMN2PPARGPPARA
SCHEMBL13417055 0.88 ACHE (0.40) ACHELTA4HFFAR1
SCHEMBL13416257 0.88 ACHE (0.43) ACHEKMT2ASLC7A5
SCHEMBL13416420 0.85 FFAR1 (0.37) LTA4HFFAR1
SCHEMBL13416281 0.83 ACHE (0.44) ACHELTA4H
SCHEMBL13416630 0.82 LTA4H (0.39) ACHELTA4HFFAR1PPARGPPARA
SCHEMBL13396490 0.81 ALOX5 (0.40) ACHEKMT2ASMN1; SMN2LTA4HFFAR1
SCHEMBL13416241 0.81 ACHE (0.41) ACHEPPARGPPARAFDFT1
SCHEMBL13416274 0.81 ACHE (0.44) ACHE
SCHEMBL13416453 0.80 ACHE (0.41) ACHEPPARGPPARAFDFT1

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 540/4885KMT2A 4459/4885SMN1; SMN2 1721/4885

“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