SCHEMBL13416664

SCHEMBL13416664

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 6/20 0.45
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
SIRT1 Q96EB6 2/20 0.43
ALB P02768 2/20 0.42
FOLH1 Q04609 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL13416773 0.95 TGM2 (0.46) TGM2ITGB1ITGA4ITGB7SIRT1
SCHEMBL13416909 0.88 ITGB3 (0.44) FOLH1
SCHEMBL13416667 0.88 FAAH (0.45) SIRT1FOLH1
SCHEMBL13416317 0.87 TGM2 (0.38) TGM2ITGB1ITGA4ITGB7SIRT1
SCHEMBL13417040 0.84 NAALAD2 (0.43) FOLH1GAA
SCHEMBL13396841 0.83 TGM2 (0.47) TGM2ITGB1ITGA4ITGB7SIRT1
SCHEMBL13416587 0.83 ITGB1 (0.39) ITGB1ITGA4ITGB7TAAR1NPC1
SCHEMBL13416954 0.83 ITGB3 (0.43) TGM2FOLH1
SCHEMBL13416661 0.83 FAAH (0.46) SIRT1FOLH1
SCHEMBL13416308 0.82 TGM2 (0.39) TGM2ITGB1ITGA4ITGB7SIRT1

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 TGM2 2807/4885ITGB1 253/4885ITGA4 1120/4885

“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.