SCHEMBL399250

SCHEMBL399250

CCNC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1OC(=O)CCCCCO[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.67
AKR1C3 P42330 1/20 0.67
PTGS1 P23219 1/20 0.54
PTGFR P43088 6/20 0.54
PTGER3 P43115 3/20 0.54
MGLL Q99685 1/20 0.48
CA2 P00918 1/20 0.47
PTGER1 P34995 1/20 0.46
PTGER4 P35408 1/20 0.46
TBXA2R P21731 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
PDE4D Q08499 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL399252 1.00 ABCB11 (0.67) ABCB11AKR1C3PTGS1PTGFRPTGER3
SCHEMBL399253 1.00 ABCB11 (0.67) ABCB11AKR1C3PTGS1PTGFRPTGER3
SCHEMBL399251 1.00 ABCB11 (0.67) ABCB11AKR1C3PTGS1PTGFRPTGER3
SCHEMBL4309171 1.00 ABCB11 (0.67) ABCB11AKR1C3PTGS1PTGFRPTGER3
SCHEMBL15151298 0.95 ABCB11 (0.61) ABCB11AKR1C3PTGS1PTGFRPTGER3
SCHEMBL399395 0.95 ABCB11 (0.67) ABCB11AKR1C3PTGS1PTGFRPTGER3
SCHEMBL1081893 0.95 ABCB11 (0.67) ABCB11AKR1C3PTGS1PTGFRPTGER3
SCHEMBL399394 0.95 ABCB11 (0.67) ABCB11AKR1C3PTGS1PTGFRPTGER3
SCHEMBL1081889 0.95 ABCB11 (0.67) ABCB11AKR1C3PTGS1PTGFRPTGER3
SCHEMBL1081887 0.95 ABCB11 (0.67) ABCB11AKR1C3PTGS1PTGFRPTGER3

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 7 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
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-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
US-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES NICOX S.A. (FR) 2011-04-21 US 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 ABCB11 2484/4885AKR1C3 482/4885PTGS1 4/4885

“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.