SCHEMBL3884087

SCHEMBL3884087

Cc1ccc(Nc2c(F)cccc2Cl)c(C(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.68
PTGS1 P23219 2/20 0.68
ABCB11 O95342 1/20 0.68
PPARG P37231 1/20 0.68
NR1I3 Q14994 1/20 0.68
FABP3 P05413 1/20 0.60
FABP4 P15090 1/20 0.60
DHODH Q02127 8/20 0.56
CLCN2 P51788 1/20 0.51
FTO Q9C0B1 1/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL27489637 0.83 PTGS2 (0.53) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL27595572 0.81 PTGS2 (0.64) PTGS2PTGS1ABCB11PPARGNR1I3
Lumiracoxib SCHEMBL29475008 0.81 PTGS2 (1.00) PTGS2PTGS1ABCB11PPARGNR1I3
Lumiracoxib SCHEMBL29377334 0.81 PTGS2 (1.00) PTGS2PTGS1ABCB11PPARGNR1I3
Lumiracoxib SCHEMBL4479 0.81 PTGS2 (1.00) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL26193724 0.80 PTGS2 (0.62) PTGS2PTGS1ABCB11PPARGNR1I3
Lumiracoxib SCHEMBL27680523 0.80 PTGS2 (0.98) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL6024132 0.79 PTGS2 (0.61) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL5533958 0.79 PTGS2 (0.82) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL3120262 0.79 PTGS2 (0.82) PTGS2PTGS1ABCB11PPARGNR1I3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120322874-A1 Pharmaceutical Uses BRAZZELL ROMULUS KIMBRO (US) 2012-12-20 US disclosed
US-20090247638-A1 PHARMACEUTICAL USE OF COX-2-INHIBITORS IN ANGIOGENESIS-MEDIATED OCULAR DISORDERS BRAZZELL ROMULUS KIMBRO 2009-10-01 US disclosed
CN-100490797-C Pharmaceutical composition NOVARTIS AG (CH) 2009-05-27 CN disclosed
EP-2014284-A1 Pharmaceutical compositions and uses Novartis AG (CH) 2009-01-14 EP disclosed
WO-2008156645-A2 PHARMACEUTICAL COMPOSITIONS AND USES NOVARTIS AG (CH) 2008-12-24 WO disclosed
US-20080146662-A1 Methods and compositions for treatment of cancer pain FUJIMOTO ROGER AKI 2008-06-19 US disclosed
US-7345088-B2 Pharmaceutical composition for use for the treatment of malignancies comprising in combination a bisphosphonates, a cox-2 inhibitor and a taxol PENN STATE RESEARCH FOUNDATION (US) 2008-03-18 US disclosed
CN-100372539-C Pharmaceutical composition comprising a combination of a bisphosphonate, a COX-2 inhibitor and paclitaxel for the treatment of malignancies NOVARTIS AG (CH) 2008-03-05 CN disclosed
US-20080027032-A1 COMBINATIONS COMPRISING COX-2 INHIBITORS AND ASPIRIN GIMONA ALBERTO 2008-01-31 US disclosed
EP-1443942-B1 PHARMACEUTICAL COMPOSITION FOR USE FOR THE TREATMENT OF MALIGNANCIES COMPRISING IN COMBINATION A BISPHOSPHONATE, A COX-2 INHIBITOR AND A TAXOL NOVARTIS AG (CH) 2008-01-02 EP disclosed
WO-2002020090-A9 PHARMACEUTICAL COMPOSITIONS NOVARTIS AG (CH) 2003-10-30 WO disclosed
WO-2003072097-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BISPHOSPHONATE AND A COX-2 INHIBITOR FOR THE TREATMENT OF BONE DISEASES NOVARTIS AG (CH) 2003-09-04 WO disclosed
EP-1331972-A2 PHARMACEUTICAL COMPOSITIONS Novartis AG (CH) 2003-08-06 EP disclosed
WO-2003061645-A1 PHARMACEUTICAL USE OF COX-2 INHIBITORS IN ANGIOGENESIS-MEDIATED OCULAR DISORDERS NOVARTIS AG (CH) 2003-07-31 WO disclosed
US-20030114527-A1 Pharmaceutical composition NOVARTIS AG (CH) 2003-06-19 US disclosed
WO-2003035081-A1 PHARMACEUTICAL COMPOSITION FOR USE FOR THE TREATMENT OF MALIGNANCIES COMPRISING IN COMBINATION A BISPHOSPHONATES, A COX-2 INHIBITOR AND A TAXOL NOVARTIS AG (CH) 2003-05-01 WO disclosed
WO-2003033001-A1 COMBINATIONS COMPRISING COX-2 INHIBITORS AND ASPIRIN NOVARTIS AG (CH) 2003-04-24 WO disclosed
WO-2003020261-A1 PHARMACEUTICAL COMPOSITION COMPRISING LUMIRACOXIB NOVARTIS AG (CH) 2003-03-13 WO disclosed
US-20020061932-A1 Pharmaceutical composition GIMONA ALBERTO (CH) 2002-05-23 US disclosed
WO-2002020090-A2 PHARMACEUTICAL COMPOSITIONS NOVARTIS AG (CH) 2002-03-14 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 (4 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-20090247638-A1 PHARMACEUTICAL USE OF COX-2-INHIBITORS IN ANGIOGENESIS-MEDIATED OCULAR DISORDERS PTGS2, PTGS1, PTGES2 PTGS2 1/4885PTGS1 2/4885ABCB11 2995/4885
US-20080027032-A1 COMBINATIONS COMPRISING COX-2 INHIBITORS AND ASPIRIN PTGS2, PTGER2, PTGES2 PTGS2 1/4885PTGS1 4/4885ABCB11 3306/4885
US-20080146662-A1 Methods and compositions for treatment of cancer pain PTGER2, PTGS2, PTGES2 PTGS2 2/4885PTGS1 5/4885ABCB11 1383/4885
US-20120322874-A1 Pharmaceutical Uses PTGS2, PTGS1, PTGES2 PTGS2 1/4885PTGS1 2/4885ABCB11 2475/4885

“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.