SCHEMBL13416633

SCHEMBL13416633

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.47
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
LNPEP Q9UIQ6 3/20 0.37
ERAP2 Q6P179 2/20 0.37
GRIA1 P42261 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
SLC6A2 P23975 1/20 0.36
YARS1 P54577 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
SCHEMBL13407296 0.85 SLC7A5 (0.50) SLC7A5ESR1ESR2HDAC8LNPEP
SCHEMBL12562991 0.85 SLC7A5 (0.50) SLC7A5ESR1ESR2HDAC8LNPEP
SCHEMBL13416627 0.85 SLC7A5 (0.50) SLC7A5ESR1ESR2HDAC8TAAR1
SCHEMBL13416262 0.84 SLC7A5 (0.49) SLC7A5ESR1ESR2HDAC8LNPEP
SCHEMBL13416629 0.84 SLC7A5 (0.49) SLC7A5ESR1ESR2HDAC8LNPEP
SCHEMBL17738628 0.80 SLC7A5 (0.65) SLC7A5ESR1ESR2HDAC8TAAR1
SCHEMBL13396367 0.80 SLC7A5 (0.44) SLC7A5ESR1ESR2HDAC8LNPEP
SCHEMBL13416628 0.80 SLC7A5 (0.53) SLC7A5ESR1ESR2HDAC8TAAR1
SCHEMBL16607621 0.76 SLC7A5 (0.59) SLC7A5ESR1ESR2HDAC8TAAR1
SCHEMBL9513958 0.76 SLC7A5 (0.59) SLC7A5ESR1ESR2HDAC8TAAR1

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 4181/4885ESR1 1712/4885ESR2 649/4885

“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.