SCHEMBL135465

SCHEMBL135465

CC(C(=O)OCCCCO[N+](=O)[O-])c1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.56
PTGS2 P35354 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
AKR1C3 P42330 2/20 0.56
AKR1C2 P52895 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
FABP2 P12104 1/20 0.56
TSHR P16473 1/20 0.56
AKR1C4 P17516 1/20 0.56
ADRA2B P18089 1/20 0.56
CHRM3 P20309 1/20 0.56
HTR2C P28335 1/20 0.56
DRD3 P35462 1/20 0.56
AKR1C1 Q04828 1/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL29380153 1.00 PTGS1 (0.56) PTGS1PTGS2MEN1KMT2AAKR1C3
SCHEMBL2722631 1.00 PTGS1 (0.56) PTGS1PTGS2MEN1KMT2AAKR1C3
SCHEMBL5605512 0.98 PTGS1 (0.56) PTGS1PTGS2MEN1KMT2AAKR1C3
Hydrochloric Acid SCHEMBL7143180 0.90 PTGS1 (0.48) PTGS1PTGS2MEN1KMT2AAKR1C3
SCHEMBL12103285 0.89 PTGS1 (0.53) PTGS1PTGS2MEN1KMT2AAKR1C3
SCHEMBL16193387 0.87 LMNA (0.64) PTGS1PTGS2MEN1KMT2AAKR1C3
SCHEMBL15367915 0.85 PTGS2 (0.64) PTGS1PTGS2MEN1KMT2AAKR1C3
SCHEMBL5140144 0.85 PTGS1 (0.45) PTGS1PTGS2MEN1KMT2AAKR1C3
Flurbiprofen SCHEMBL7581730 0.85 AKR1C3 (0.52) PTGS1PTGS2MEN1KMT2AAKR1C3
SCHEMBL29198052 0.84 PTGS2 (0.66) PTGS1PTGS2MEN1KMT2AAKR1C3

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 US claimed
US-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD. (IT) 2012-03-08 US claimed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 US claimed
US-20100317630-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2010-12-16 US claimed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US claimed
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
US-20060154954-A1 Combinations and use of selected pharmaceutically active compounds ALTANA PHARMA AG (DE) 2006-07-13 US claimed
EP-1599175-A2 IMIDAZOPYRIDINES CONTAINING COMBINATIONS AND THEIR USE IN TREATING GASTROINTESTINAL INFLAMMATORY DISORDERS ALTANA Pharma AG (DE) 2005-11-30 EP claimed
WO-2005074930-A1 PHARMACEUTICAL COMBINATIONS OF (S) -PANTOPRAZOLE WITH NSAID OR CORTICOSTEROIDS ALTANA PHARMA AG (DE) 2005-08-18 WO claimed
US-20040242597-A1 Combination NYCOMED GMBH (DE) 2004-12-02 US claimed
WO-2004071391-A2 IMIDAZOPYRIDINES CONTAINING COMBINATIONS AND THEIR USE IN TREATING GASTROINTESTINAL INFLAMMATORY DISORDERS ALTANA PHARMA AG (DE) 2004-08-26 WO claimed
EP-1429807-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA Pharma AG (DE) 2004-06-23 EP claimed
WO-2003024489-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA PHARMA AG (DE) 2003-03-27 WO claimed
WO-2017080989-A1 (R)-FLURIPROFEN FOR THE PREVENTION AND/OR TREATMENT OF DIABETES Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2017-05-18 WO disclosed
US-8802726-B2 Use of nitrooxyderivative of drug for the treatment of muscular dystrophies NICOX S.A. (FR) 2014-08-12 US disclosed
EP-2590985-B1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD (IE) 2014-05-14 EP disclosed
WO-2003024489-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
WO-2002053188-A1 COMPOSITIONS COMPRISING CYCLODEXTRINS AND NO-RELEASING DRUGS NICOX S.A. (FR) 2002-07-11 WO disclosed
EP-1219306-A1 Compositions comprising cyclodextrins and NO- releasing drugs NICOX S.A. (FR) 2002-07-03 EP 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 (5 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-20100317630-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS GRM5, GRIK5, HRH2 PTGS1 628/4885PTGS2 575/4885MEN1 771/4885
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS GRM5, GRIK5, GRM3 PTGS1 811/4885PTGS2 940/4885MEN1 754/4885
US-20060171969-A1 Oral pharmaceutical forms of liquid drugs having improved bioavailability ABCG2, SLCO1B1, SLCO4C1 PTGS1 515/4885PTGS2 653/4885MEN1 2832/4885
US-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS GRM5, GPR65, GRIK5 PTGS1 619/4885PTGS2 555/4885MEN1 907/4885
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 PTGS1 1207/4885PTGS2 1659/4885MEN1 483/4885

“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.