SCHEMBL5451982

SCHEMBL5451982

COc1ccc(-c2nc(SC(C)C(=O)N(C)C)n(C)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
LIPE Q05469 1/20 0.43
PPARG P37231 1/20 0.41
HSD17B10 Q99714 3/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 2/20 0.39
TP53 P04637 2/20 0.39
MGLL Q99685 1/20 0.39
PTGS2 P35354 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAPK10 P53779 1/20 0.37
ADORA1 P30542 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 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
SCHEMBL5449055 0.86 CNR1 (0.46) MAPK14MAPK13MAPK12MAPK11BCHE
SCHEMBL11016914 0.82 KMT2A (0.43) MAPK14MAPK13MAPK12MAPK11PPARG
SCHEMBL7085313 0.75 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11PPARG
SCHEMBL10964771 0.71 MEN1 (0.48) MAPK14MAPK13MAPK12MAPK11PPARG
SCHEMBL10966368 0.69 LMNA (0.50) MAPK14MAPK13MAPK12MAPK11PPARG
SCHEMBL14033094 0.69 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL10809999 0.68 VCP (0.44) MAPK14MAPK13MAPK12MAPK11HSD17B10
SCHEMBL6632921 0.66 ALDH1A1 (0.56) MAPK14MAPK13MAPK12MAPK11PPARG
SCHEMBL5443200 0.66 ALDH1A1 (0.47) KDM4EHPGDPTGS2NPSR1MEN1
SCHEMBL10989518 0.66 ALDH1A1 (0.47) KDM4EHPGDNPSR1ADORA1MEN1

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 MAPK14 2955/4885MAPK13 3380/4885MAPK12 3274/4885

“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.