SCHEMBL13416262

SCHEMBL13416262

NC(Cc1ccc(O)cc1)C(=O)OCCCCCCON(O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.49
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HDAC8 Q9BY41 2/20 0.39
TAAR1 Q96RJ0 3/20 0.38
SLC6A2 P23975 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
ERAP2 Q6P179 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38

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
SCHEMBL13407296 0.99 SLC7A5 (0.50) SLC7A5ITGB3ITGA2BHDAC8TAAR1
SCHEMBL12562991 0.99 SLC7A5 (0.50) SLC7A5ITGB3ITGA2BHDAC8TAAR1
SCHEMBL13416627 0.96 SLC7A5 (0.50) SLC7A5ITGB3ITGA2BHDAC8TAAR1
SCHEMBL16607621 0.90 SLC7A5 (0.59) SLC7A5ITGB3ITGA2BHDAC8TAAR1
SCHEMBL13416629 0.86 SLC7A5 (0.49) SLC7A5HDAC8TAAR1SLC6A2ESR1
SCHEMBL12846533 0.86 ALPI (0.50) SLC7A5ITGB3ITGA2BHDAC8
SCHEMBL13416633 0.84 SLC7A5 (0.47) SLC7A5HDAC8TAAR1SLC6A2ESR1
SCHEMBL7744530 0.83 SLC7A5 (0.51) SLC7A5SLC6A2ESR1
SCHEMBL1270995 0.83 SLC7A5 (0.51) SLC7A5SLC6A2ESR1
SCHEMBL7744532 0.83 SLC7A5 (0.51) SLC7A5SLC6A2ESR1

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.