SCHEMBL13407296

SCHEMBL13407296

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.50
HDAC8 Q9BY41 2/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
TAAR1 Q96RJ0 3/20 0.39
SLC6A2 P23975 1/20 0.39
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
SCHEMBL12562991 1.00 SLC7A5 (0.50) SLC7A5HDAC8ITGB3ITGA2BTAAR1
SCHEMBL13416262 0.99 SLC7A5 (0.49) SLC7A5HDAC8ITGB3ITGA2BTAAR1
SCHEMBL13416627 0.97 SLC7A5 (0.50) SLC7A5HDAC8ITGB3ITGA2BTAAR1
SCHEMBL16607621 0.88 SLC7A5 (0.59) SLC7A5HDAC8ITGB3ITGA2BTAAR1
SCHEMBL13416629 0.88 SLC7A5 (0.49) SLC7A5HDAC8TAAR1SLC6A2ESR1
SCHEMBL12846533 0.87 ALPI (0.50) SLC7A5HDAC8ITGB3ITGA2B
SCHEMBL13416633 0.85 SLC7A5 (0.47) SLC7A5HDAC8TAAR1SLC6A2ESR1
SCHEMBL13416263 0.84 SLC7A5 (0.41) SLC7A5HDAC8ITGB3ITGA2BTAAR1
SCHEMBL17738628 0.83 SLC7A5 (0.65) SLC7A5HDAC8TAAR1SLC6A2ESR1
SCHEMBL13416628 0.83 SLC7A5 (0.53) SLC7A5HDAC8TAAR1SLC6A2ESR1

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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 US disclosed
US-20100093685-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. 2010-04-15 US disclosed
WO-2008095841-A2 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2008-08-14 WO disclosed
WO-2008095806-A1 NITRIC OXIDE RELEASING STEROIDS 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 (2 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 4181/4885HDAC8 4808/4885ITGB3 211/4885
US-20100093685-A1 NITRIC OXIDE RELEASING STEROIDS NR3C1, CYP11B1, NOS1 SLC7A5 3777/4885HDAC8 3866/4885ITGB3 2187/4885

“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.