SCHEMBL2843548

SCHEMBL2843548

CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)[nH]c(=S)n2CCCO)ccn1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.63
GSK3B P49841 2/20 0.51
MAPK13 O15264 2/20 0.51
MAPK12 P53778 2/20 0.51
MAPK11 Q15759 2/20 0.51
KCNH2 Q12809 1/20 0.50

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
SCHEMBL2846610 0.94 MAPK14 (0.61) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL5095659 0.85 MAPK14 (0.58) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL3230997 0.83 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5104614 0.79 RIPK3 (0.54) MAPK14
SCHEMBL2851382 0.77 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3233018 0.77 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2851384 0.71 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL2842940 0.70 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2846586 0.68 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5098359 0.68 ALOX5 (0.47) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273833-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2010-10-28 US disclosed
EP-1853581-B1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2010-06-02 EP disclosed
US-20100069436-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT Merckle (DE) 2010-03-18 US disclosed
EP-1894925-A1 Imidazole compounds having an antiinflammatory effect MERCKLE GMBH (DE) 2008-03-05 EP disclosed
EP-1853581-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2007-11-14 EP disclosed
WO-2006089798-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2006-08-31 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 (2 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-20100069436-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT MIF, TNF, IL1B MAPK14 2368/4885GSK3B 3289/4885MAPK13 2173/4885
US-20100273833-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B MAPK14 1604/4885GSK3B 3359/4885MAPK13 1854/4885

“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.