SCHEMBL5434845

SCHEMBL5434845

CC(=O)NCCSc1nc(-c2ccc(C(F)(F)F)cc2)c(-c2ccc(C(F)(F)F)cc2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.49
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EGFR P00533 3/20 0.45
GSK3B P49841 2/20 0.44

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
SCHEMBL5452003 0.86 PTGES (0.53) KDM4ELMNAMAPTHPGDSMN1; SMN2
SCHEMBL5481419 0.85 PTGS1 (0.54) MAPK14KDM4ELMNAMAPTHPGD
SCHEMBL5466784 0.85 KDM4E (0.62) KDM4ELMNAMAPTHPGDSMN1; SMN2
SCHEMBL5444943 0.84 ALDH1A1 (0.51) MAPK14MAPTHPGDSMN1; SMN2
SCHEMBL5485404 0.83 MTNR1A (0.56) MAPK14
SCHEMBL11190335 0.83 MAPK14 (0.56) MAPK14KDM4E
Bromide SCHEMBL11178448 0.82 MAPK14 (0.55) MAPK14
SCHEMBL5434841 0.80 MAPK14 (0.56) MAPK14KDM4ELMNAEGFRGSK3B
SCHEMBL5449334 0.78 MAPT (0.47) MAPK14MAPTHPGDSMN1; SMN2
SCHEMBL9664403 0.78 KDM4E (0.60) KDM4ELMNAMAPTHPGDSMN1; SMN2

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 3 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

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 2955/4885KDM4E 520/4885LMNA 4883/4885

“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.