SCHEMBL13416909

SCHEMBL13416909

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.44
ITGA2B P08514 11/20 0.44
PRSS1 P07477 6/20 0.42
PRSS2 P07478 6/20 0.42
PRSS3 P35030 6/20 0.42
TPSAB1 Q15661 6/20 0.42
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
KLKB1 P03952 1/20 0.41
CPB2 Q96IY4 1/20 0.40
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39
FOLH1 Q04609 1/20 0.39

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
SCHEMBL13416954 0.95 ITGB3 (0.43) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL13416664 0.88 TGM2 (0.45) FOLH1
SCHEMBL13416923 0.88 PRSS1 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL13417040 0.85 NAALAD2 (0.43) PRSS1FOLH1
SCHEMBL13416587 0.84 ITGB1 (0.39) ITGB3ITGA2BPRSS1
SCHEMBL13416773 0.83 TGM2 (0.46) FOLH1
SCHEMBL13396736 0.83 ITGB3 (0.42) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL13416590 0.83 TMPRSS15 (0.41) PRSS1
SCHEMBL13416691 0.83 ALDH1A1 (0.46)
SCHEMBL13416915 0.83 PRSS1 (0.45) ITGB3ITGA2BPRSS1PRSS2PRSS3

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 ITGB3 211/4885ITGA2B 313/4885PRSS1 2150/4885

“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.