SCHEMBL5445232

SCHEMBL5445232

FC(F)(F)c1ccc(-c2nc(S)[nH]c2-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.55
MAPK12 P53778 3/20 0.55
MAPK11 Q15759 3/20 0.55
MAPK14 Q16539 3/20 0.55
RAF1 P04049 2/20 0.55
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
MAPK9 P45984 2/20 0.42
KIF11 P52732 2/20 0.41
GCGR P47871 2/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
FRK P42685 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
GSK3B P49841 1/20 0.41
PTK6 Q13882 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
GFER P55789 1/20 0.40

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
SCHEMBL5435606 0.80 MAPK14 (0.56) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL9435546 0.78 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL11172466 0.78 MAPK14 (0.57) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL4285506 0.77 MAPK14 (0.69) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5098384 0.77 MAPK14 (0.69) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL9666048 0.77 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL5446798 0.77 GCGR (0.56) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL1172425 0.76 KDM4E (0.60) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL31029951 0.76 MAPK13 (0.89) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL67984 0.76 MAPK13 (0.89) MAPK13MAPK12MAPK11MAPK14RAF1

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-20070185169-A1 2-Mercapto-4,5-Diarylimidazole Derivatives and the use thereof as Cyclooxygenase Inhibitors BEIERSDORF, AG 2007-08-09 US disclosed
US-7223781-B2 2-mercapto-4,5-diarylimidazole derivatives and the use thereof as cyclooxygenase inhibitors BEIERSDORF AG (DE) 2007-05-29 US disclosed
US-20040116695-A1 2-Mercapto-4,5-diarylimidazole derivatives and the use thereof as cyclooxygenase inhibitors BEIERSDORF AG (DE) 2004-06-17 US disclosed
EP-1373217-A1 2-MERCAPTO-4,5-DIARYLIMIDAZOLE DERIVATIVES AND THE USE THEREOF AS CYCLOOXYGENASE INHIBITORS Beiersdorf AG (DE) 2004-01-02 EP disclosed
WO-2002076951-A1 2-MERCAPTO-4,5-DIARYLIMIDAZOLE DERIVATIVES AND THE USE THEREOF AS CYCLOOXYGENASE INHIBITORS BEIERSDORF AG (DE) 2002-10-03 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 (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-20070185169-A1 2-Mercapto-4,5-Diarylimidazole Derivatives and the use thereof as Cyclooxygenase Inhibitors PTGS2, PTGES2, DHFR MAPK13 3380/4885MAPK12 3274/4885MAPK11 3830/4885

“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.