SCHEMBL13416248

SCHEMBL13416248

NC(Cc1ccc(O)cc1)C(=O)Oc1ccc(CCCON(O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.43
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
CALM1 P0DP23 1/20 0.38
PTGS2 P35354 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PCNA P12004 1/20 0.36
FFAR1 O14842 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 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
SCHEMBL13416250 0.93 SLC7A5 (0.46) SLC7A5ITGB3ITGA2BPTGS2NPC1
SCHEMBL13416239 0.85 SPHK1 (0.37) ITGB3ITGA2BPTGS2FFAR1
SCHEMBL13416414 0.83 FFAR1 (0.40) ITGB3ITGA2BFFAR1
SCHEMBL13407296 0.82 SLC7A5 (0.50) SLC7A5ITGB3ITGA2BHDAC8
SCHEMBL12562991 0.82 SLC7A5 (0.50) SLC7A5ITGB3ITGA2BHDAC8
SCHEMBL13416627 0.82 SLC7A5 (0.50) SLC7A5ITGB3ITGA2BHDAC8
SCHEMBL13396368 0.81 SLC7A5 (0.42) SLC7A5ITGB3ITGA2BCALM1PTGS2
SCHEMBL13416262 0.81 SLC7A5 (0.49) SLC7A5ITGB3ITGA2BHDAC8
SCHEMBL13416636 0.81 FFAR1 (0.44) PTGS2FFAR1
SCHEMBL13416276 0.81 ITGB3 (0.41) ITGB3ITGA2BFFAR1

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 SLC7A5 4181/4885ITGB3 211/4885ITGA2B 313/4885

“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.