SCHEMBL396155

SCHEMBL396155

O=C(Cl)CCC(=O)OCCCCO[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA4 P22748 4/20 0.41
CA9 Q16790 4/20 0.41
PTGS2 P35354 2/20 0.39
HTR2C P28335 1/20 0.36
PTGS1 P23219 1/20 0.35
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
ESR2 Q92731 1/20 0.32
GSTP1 P09211 1/20 0.32
GSTM2 P28161 1/20 0.32

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
SCHEMBL14697023 0.91 CA12 (0.46) CA12CA1CA2CA4CA9
SCHEMBL22958440 0.90 DGKA (0.41) CA12CA1CA2CA4CA9
SCHEMBL23036025 0.87 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL396669 0.84 CA12 (0.42) CA12CA1CA2CA4CA9
SCHEMBL10063280 0.84 CA12 (0.44) CA12CA1CA2CA4CA9
SCHEMBL400376 0.83 ALDH1A1 (0.40) CA12CA1CA2CA4CA9
SCHEMBL401034 0.82 ALDH1A1 (0.43) CA12CA1CA2CA4CA9
SCHEMBL5039623 0.81 ALDH1A1 (0.39) CA12CA1CA2CA4CA9
SCHEMBL28355112 0.81 GSTP1 (0.39) CA12CA1CA2CA4CA9
SCHEMBL3330237 0.81 NAAA (0.44) CA12CA1CA2CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274279-B1 NITRIC OXIDE DONATING PROSTAMIDES NICOX SA (FR) 2013-07-31 EP disclosed
US-8101658-B2 Nitric oxide donating prostamides NICOX S.A. (FR) 2012-01-24 US disclosed
US-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES NICOX S.A. (FR) 2011-04-21 US disclosed
EP-2274279-A1 NITRIC OXIDE DONATING PROSTAMIDES Nicox S.A. (FR) 2011-01-19 EP disclosed
WO-2009136281-A1 NITRIC OXIDE DONATING PROSTAMIDES NICOX S.A. (FR) 2009-11-12 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-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES PTGIS, PTGIR, NOS2 CA12 3943/4885CA1 4248/4885CA2 1059/4885

“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.