SCHEMBL4180686

SCHEMBL4180686

CSc1ccc(-c2cnn(CC(F)(F)F)c(=O)c2OCCC(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.41
PTGS1 P23219 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
LYN P07948 1/20 0.31
SRC P12931 1/20 0.31
NPBWR1 P48145 1/20 0.31
CNR1 P21554 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL4188879 0.89 PTGS2 (0.43) PTGS2PTGS1KMT2AMEN1LYN
SCHEMBL4191095 0.88 PTGS2 (0.43) PTGS2PTGS1LYNSRCNPBWR1
SCHEMBL4191091 0.85 PTGS2 (0.47) PTGS2PTGS1KMT2AMEN1NPBWR1
SCHEMBL4182656 0.85 PTGS2 (0.44) PTGS2PTGS1LYNSRCNPBWR1
SCHEMBL4192089 0.84 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL4191399 0.84 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL4183260 0.84 PTGS2 (0.42) PTGS2PTGS1MGAMGAASI
SCHEMBL4188367 0.83 PTGS2 (0.47) PTGS2PTGS1NPBWR1CNR1HRH3
SCHEMBL4184110 0.83 KMT2A (0.33) PTGS2KMT2AMEN1MGAMGAA
SCHEMBL4184365 0.81 PTGS2 (0.51) PTGS2PTGS1CNR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A 2009-02-12 US disclosed
US-7115591-B2 Pyridazinone compounds as cyclooxygenase [COX] 2 inhibitorsfor gastrointestinal disorders ABBOTT LABORATORIES (US) 2006-10-03 US disclosed
US-7001895-B2 Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LABORATORIES (US) 2006-02-21 US disclosed
US-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2004-08-12 US disclosed
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2003-12-04 US disclosed
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-03-07 US disclosed
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 US disclosed
US-6307047-B1 PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ABBOTT LABORATORIES 2001-10-23 US disclosed
EP-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
EP-1007515-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS Abbott Laboratories (US) 2000-06-14 EP disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed
WO-1999010331-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-03-04 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 (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-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PTGS2 3/4885PTGS1 1/4885KMT2A 4410/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PTGS2 3/4885PTGS1 1/4885KMT2A 4365/4885
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 PTGS2 3/4885PTGS1 2/4885KMT2A 4328/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PTGS2 3/4885PTGS1 1/4885KMT2A 4365/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PTGS2 3/4885PTGS1 1/4885KMT2A 4365/4885

“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.