SCHEMBL6313883

SCHEMBL6313883

CCC(C(=O)c1ccc(Br)cc1)C(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
RAB9A P51151 2/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HTT P42858 2/20 0.38
HDAC3 O15379 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
OGG1 O15527 1/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36

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
SCHEMBL2264652 0.83 MDM2 (0.49) SLC6A2SLC6A3RAB9ACES2CES1
SCHEMBL342966 0.81 GSK3B (0.48) GSK3BSLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL6322376 0.81 CHRNA1 (0.37) SLC6A2SLC6A4SLC6A3RAB9ACES2
SCHEMBL6543553 0.77 GSK3B (0.44) GSK3BSLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL6314721 0.76 CES2 (0.43) GSK3BSLC6A2SLC6A4SLC6A3CES2
SCHEMBL27986090 0.75 GSK3B (0.43) GSK3BSLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL18994620 0.73 SLC6A2 (0.49) GSK3BSLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL2853000 0.72 KMT2A (0.48) GSK3BSLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL3033043 0.72 SLC6A2 (0.47) GSK3BSLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL6823649 0.70 OGG1 (0.47) GSK3BSLC6A2SLC6A4SLC6A3RAB9A

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 GSK3B 4567/4885SLC6A2 3629/4885SLC6A4 2073/4885

“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.