SCHEMBL5605645

SCHEMBL5605645

COc1ccc2cc([C@H](C)C(=O)OC(C)(C)CO[N+](=O)[O-])ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
PTGS2 P35354 7/20 0.51
AKR1C3 P42330 3/20 0.51
AKR1C2 P52895 3/20 0.51
PTGS1 P23219 2/20 0.51
CDC42 P60953 1/20 0.51
RAC1 P63000 1/20 0.51
CYP1A2 P05177 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
ABCB11 O95342 1/20 0.43

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
SCHEMBL218184 0.83 TDP1 (0.53) TDP1L3MBTL1TSHRLMNAMAPT
SCHEMBL19719468 0.81 PTGS2 (0.60) TDP1L3MBTL1TSHRLMNAMAPT
SCHEMBL220447 0.81 TDP1 (0.55) TDP1L3MBTL1TSHRLMNAMAPT
Naproxcinod SCHEMBL12744108 0.80 TDP1 (0.54) TDP1L3MBTL1TSHRLMNAMAPT
SCHEMBL1641509 0.80 TDP1 (0.44) TDP1L3MBTL1TSHRLMNAMAPT
SCHEMBL5605756 0.80 TDP1 (0.56) TDP1L3MBTL1TSHRLMNAMAPT
SCHEMBL13730523 0.80 PTGS2 (0.57) TDP1L3MBTL1TSHRLMNAMAPT
SCHEMBL5605758 0.80 TDP1 (0.56) TDP1L3MBTL1TSHRLMNAMAPT
Naproxcinod SCHEMBL29663794 0.80 PTGS2 (0.57) TDP1L3MBTL1TSHRLMNAMAPT
Naproxcinod SCHEMBL1448284 0.80 PTGS2 (0.57) TDP1L3MBTL1TSHRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1526839-B1 ORAL PHARMACEUTICAL FORMS OF LIQUID DRUGS HAVING IMPROVED BIOAVAILABILITY NICOX SA (FR) 2007-03-14 EP claimed
US-20060171969-A1 Oral pharmaceutical forms of liquid drugs having improved bioavailability NICOX S.A. (FR) 2006-08-03 US claimed
EP-1526839-A1 ORAL PHARMACEUTICAL FORMS OF LIQUID DRUGS HAVING IMPROVED BIOAVAILABILITY Nicox S.A. (FR) 2005-05-04 EP claimed
WO-2004000273-A1 ORAL PHARMACEUTICAL FORMS OF LIQUID DRUGS HAVING IMPROVED BIOAVAILABILITY NICOX S.A. (FR) 2003-12-31 WO claimed
EP-1526839-B1 ORAL PHARMACEUTICAL FORMS OF LIQUID DRUGS HAVING IMPROVED BIOAVAILABILITY NICOX SA (FR) 2007-03-14 EP disclosed
US-20060171969-A1 Oral pharmaceutical forms of liquid drugs having improved bioavailability NICOX S.A. (FR) 2006-08-03 US disclosed
EP-1526839-A1 ORAL PHARMACEUTICAL FORMS OF LIQUID DRUGS HAVING IMPROVED BIOAVAILABILITY Nicox S.A. (FR) 2005-05-04 EP disclosed
WO-2004000273-A1 ORAL PHARMACEUTICAL FORMS OF LIQUID DRUGS HAVING IMPROVED BIOAVAILABILITY NICOX S.A. (FR) 2003-12-31 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-20060171969-A1 Oral pharmaceutical forms of liquid drugs having improved bioavailability ABCG2, SLCO1B1, SLCO4C1 TDP1 3083/4885L3MBTL1 4851/4885TSHR 2558/4885

“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.