SCHEMBL2990320

SCHEMBL2990320

O=C(/C=C/c1ccc(O)c(O)c1)Oc1cccc(CO[N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.54
AKR1B1 P15121 3/20 0.54
AKR1B10 O60218 2/20 0.54
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA4 P22748 2/20 0.53
CA6 P23280 2/20 0.53
CA5A P35218 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA5B Q9Y2D0 2/20 0.53
APP P05067 5/20 0.49
CYP3A4 P08684 2/20 0.49
ALOX15 P16050 2/20 0.49
ALOX12 P18054 2/20 0.49
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL2990322 1.00 TTR (0.54) TTRAKR1B1AKR1B10CA12CA1
SCHEMBL13242591 0.90 MAPT (0.51) AKR1B1AKR1B10CA12CA1CA4
SCHEMBL2990351 0.89 TTR (0.53) TTRCA12CA4CA6CA5A
SCHEMBL2995317 0.89 CA12 (0.58) TTRAKR1B1CA12CA1CA4
SCHEMBL1318274 0.89 CA12 (0.58) TTRAKR1B1CA12CA1CA4
SCHEMBL2990355 0.89 TTR (0.53) TTRCA12CA4CA6CA5A
SCHEMBL2991868 0.89 MAPT (0.47) TTRAKR1B1AKR1B10CA12CA1
SCHEMBL2991861 0.89 MAPT (0.47) TTRAKR1B1AKR1B10CA12CA1
SCHEMBL2995205 0.87 TTR (0.54) TTRAKR1B1AKR1B10CA12CA1
SCHEMBL2995211 0.87 TTR (0.54) TTRAKR1B1AKR1B10CA12CA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179192-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NICOX S.A. (FR) 2010-07-15 US claimed
EP-2167070-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN Nicox S.A. (FR) 2010-03-31 EP claimed
WO-2009007230-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NICOX S.A. (FR) 2009-01-15 WO claimed
US-20100179192-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NICOX S.A. (FR) 2010-07-15 US disclosed
EP-2167070-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN Nicox S.A. (FR) 2010-03-31 EP disclosed
WO-2009007230-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NICOX S.A. (FR) 2009-01-15 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-20100179192-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NOS1, NOS2, NOS3 TTR 4432/4885AKR1B1 236/4885AKR1B10 414/4885

“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.