SCHEMBL6314788

SCHEMBL6314788

O=C(CC(=O)C(F)(F)F)c1ccc(-c2ncco2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.45
PLOD3 O60568 2/20 0.45
PLOD1 Q02809 2/20 0.45
CFTR P13569 1/20 0.38
RORC P51449 1/20 0.37
NTRK1 P04629 1/20 0.36
TRPM4 Q8TD43 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
SCN9A Q15858 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
PIN1 Q13526 1/20 0.32
LTA4H P09960 1/20 0.32
KMO O15229 1/20 0.32
ROCK2 O75116 1/20 0.31

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
SCHEMBL6514564 0.80 PLOD2 (0.55) PLOD2PLOD3PLOD1HDAC4LTA4H
SCHEMBL6524795 0.78 PLOD2 (0.44) PLOD2PLOD3PLOD1CFTRRORC
SCHEMBL6512481 0.77 PLOD2 (0.43) PLOD2PLOD3PLOD1SCN9AKMO
SCHEMBL6322371 0.77 NPC1 (0.39) CFTRHCRTR1HCRTR2GLRA3GLRB
SCHEMBL1349410 0.74 PLOD2 (0.59) PLOD2PLOD3PLOD1HDAC4HDAC6
SCHEMBL6524808 0.74 PLOD2 (0.43) PLOD2PLOD3PLOD1RORCNTRK1
SCHEMBL4560915 0.74 PLOD2 (0.61) PLOD2PLOD3PLOD1HDAC4
SCHEMBL1924889 0.72 PLOD2 (0.60) PLOD2PLOD3PLOD1
SCHEMBL17392139 0.69 ESR1 (0.50) PIN1
SCHEMBL28594488 0.68 GRM5 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951876-B2 Sulfamoylheteroaryl pyrazole compounds as anti-inflammatory/analgesic agents PFIZER, INC. (US) 2005-10-04 US disclosed
US-6603008-B1 Inhibit the biosynthesis of prostaglandins by intervention of the action of the enzyme cyclooxygenase on arachidonic acid PFIZER INC. 2003-08-05 US disclosed
US-20030144280-A1 Sulfamoylheteroaryl pyrazole compounds as anti-inflammatory/analgesic agents PFIZER INC. (US) 2003-07-31 US disclosed
EP-1104760-B1 Sulfamoylheteroaryl pyrazole compounds as anti-inflammatory/analgesic agents PFIZER PROD INC (US) 2003-03-12 EP disclosed
EP-1104760-A1 Sulfamoylheteroaryl pyrazole compounds as anti-inflammatory/analgesic agents Pfizer Products Inc. (US) 2001-06-06 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 (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-20030144280-A1 Sulfamoylheteroaryl pyrazole compounds as anti-inflammatory/analgesic agents PTGS1, PTGS2, SULT2A1 PLOD2 4247/4885PLOD3 4130/4885PLOD1 4443/4885

“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.