SCHEMBL5104445

SCHEMBL5104445

Fc1ccc(-c2[nH]c(=S)n(CCN3CCOCC3)c2-c2ccncc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.55
MAPK13 O15264 4/20 0.55
MAPK12 P53778 4/20 0.55
MAPK11 Q15759 4/20 0.55
ALOX5 P09917 1/20 0.51
PLK1 P53350 1/20 0.42

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
SCHEMBL5104762 0.81 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5104614 0.79 RIPK3 (0.54) MAPK14
SCHEMBL5095692 0.78 RIPK3 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5095846 0.78 GAA (0.44) MAPK14ALOX5
SCHEMBL5098359 0.76 ALOX5 (0.47) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5091819 0.75 MAPT (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5091878 0.74 TDP1 (0.53) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5639664 0.74 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5091913 0.74 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11
SCHEMBL14033245 0.74 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442713-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE GMBH (DE) 2008-10-28 US disclosed
US-7253191-B2 2-thio-substituted imidazole derivatives and the use thereof in the pharmaceutical industry MERCKLE GMBH (DE) 2007-08-07 US disclosed
US-20060252810-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics LAUFER STEFAN 2006-11-09 US disclosed
EP-1506187-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2005-02-16 EP disclosed
EP-1362045-B1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2004-11-17 EP disclosed
US-20040116416-A1 2-thio-substituted imidazole derivatives and the use thereof in the pharmaceutical industry MERCKLE GMBH (DE) 2004-06-17 US disclosed
WO-2003097633-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2003-11-27 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-20060252810-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics IL2, TPMT, IFNG MAPK14 3913/4885MAPK13 3863/4885MAPK12 3593/4885

“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.