SCHEMBL5481935

SCHEMBL5481935

COc1ccc(-c2nc(SCCNC(=O)C(C)(C)C)[nH]c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5485404 0.89 MTNR1A (0.56) MAPK14
SCHEMBL5489959 0.87 ALDH1A1 (0.57) MAPTHPGDSMN1; SMN2
SCHEMBL5444696 0.86
SCHEMBL5445210 0.86 MAPK14 (0.48) MAPK14
SCHEMBL5444927 0.86 SMN1; SMN2 (0.52) MAPTHPGDSMN1; SMN2
SCHEMBL5448314 0.84
SCHEMBL5482907 0.83 ALDH1A1 (0.61) MAPTHPGDSMN1; SMN2
SCHEMBL5444943 0.83 ALDH1A1 (0.51) MAPK14MAPTHPGDSMN1; SMN2
SCHEMBL5445220 0.83 ALDH1A1 (0.52) MAPTHPGDSMN1; SMN2
SCHEMBL5454945 0.83 KDM4E (0.51) 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 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 2955/4885KDM4E 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.