SCHEMBL6322376

SCHEMBL6322376

CCC(C(=O)c1ccc(Br)c(F)c1)C(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 2/20 0.37
CHRNG P07510 2/20 0.37
CHRNB1 P11230 2/20 0.37
CHRNB2 P17787 2/20 0.37
SLC6A2 P23975 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CHRND Q07001 2/20 0.37
SLC6A4 P31645 2/20 0.35
NOTUM Q6P988 1/20 0.35
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL6313883 0.81 GSK3B (0.42) SLC6A2SLC6A3SLC6A4CES2CES1
SCHEMBL2264652 0.74 MDM2 (0.49) SLC6A2SLC6A3CES2CES1MLYCD
SCHEMBL17275631 0.74 GAA (0.52) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL837092 0.74 SLC6A4 (0.40) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL29420348 0.74 SLC6A4 (0.40) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL4008720 0.72 HTT (0.54) TAS1R3TAS1R1PKMHDAC1HDAC6
SCHEMBL26323147 0.72 CES1 (0.45) CES2CES1MAOBKIF11MLYCD
SCHEMBL837691 0.72 CES2 (0.47) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL22230657 0.71 L3MBTL1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL2294689 0.71 CES2 (0.51) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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 CHRNA1 3347/4885CHRNG 4569/4885CHRNB1 4156/4885

“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.