SCHEMBL13416587

SCHEMBL13416587

O=C(NC(CO)C(=O)O)Oc1ccc(CCON(O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.39
ITGA4 P13612 2/20 0.39
ITGB7 P26010 2/20 0.39
SLC1A3 P43003 1/20 0.37
PRSS1 P07477 2/20 0.37
TMPRSS15 P98073 2/20 0.37
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
ITGB3 P05106 6/20 0.35
TAAR1 Q96RJ0 2/20 0.35
ITGAV P06756 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ITGA2B P08514 5/20 0.35
PPARG P37231 2/20 0.35
MME P08473 1/20 0.34
PPARA Q07869 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
SCHEMBL13416578 0.93 ITGB1 (0.38) ITGB1ITGA4ITGB7SLC1A3PRSS1
SCHEMBL13416590 0.89 TMPRSS15 (0.41) ITGB1ITGA4ITGB7PRSS1TMPRSS15
SCHEMBL13417040 0.87 NAALAD2 (0.43) PRSS1TMPRSS15GAA
SCHEMBL13416682 0.87 MAPT (0.44) MME
SCHEMBL13416653 0.86 ACHE (0.40) SLC1A3MME
SCHEMBL13416691 0.84 ALDH1A1 (0.46)
SCHEMBL13416909 0.84 ITGB3 (0.44) PRSS1ITGB3ITGA2B
SCHEMBL13416573 0.84 RAB9A (0.42) ITGB1ITGA4ITGB7SLC1A3TAAR1
SCHEMBL13416664 0.83 TGM2 (0.45) ITGB1ITGA4ITGB7TAAR1NPC1
SCHEMBL13416583 0.82 CASP1 (0.43) PRSS1TMPRSS15

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 ITGB1 253/4885ITGA4 1120/4885ITGB7 1091/4885

“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.