SCHEMBL5434841

SCHEMBL5434841

NC(=O)CCCSc1nc(-c2ccc(C(F)(F)F)cc2)c(-c2ccc(C(F)(F)F)cc2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.56
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.45
GSK3B P49841 2/20 0.44
EGFR P00533 1/20 0.44
PTGES O14684 1/20 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
SCHEMBL11190335 0.85 MAPK14 (0.56) MAPK14KDM4E
SCHEMBL5481416 0.84 MAPK14 (0.53) MAPK14LMNAKDM4EPTGES
Bromide SCHEMBL11178448 0.84 MAPK14 (0.55) MAPK14
SCHEMBL5485402 0.81 MAPK14 (0.59) MAPK14
SCHEMBL9370221 0.81 KDM4E (0.62) KDM4EPTGES
SCHEMBL5452001 0.80 KDM4E (0.45) MAPK14LMNAKDM4EPTGES
SCHEMBL5434845 0.80 MAPK14 (0.49) MAPK14LMNAKDM4EGSK3BEGFR
SCHEMBL3174806 0.78 KDM4E (0.65) LMNAKDM4EPTGES
SCHEMBL5452003 0.77 PTGES (0.53) LMNAKDM4EEGFRPTGES
SCHEMBL11172466 0.75 MAPK14 (0.57) MAPK14LMNAKDM4EGSK3B

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 2955/4885LMNA 4883/4885KDM4E 520/4885

“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.