SCHEMBL4478059

SCHEMBL4478059

C[S+]([O-])c1ccc(O)c(CSc2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.61
MAPK13 O15264 5/20 0.55
MAPK12 P53778 5/20 0.55
MAPK11 Q15759 5/20 0.55
ALOX5 P09917 1/20 0.45

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
SCHEMBL4106398 0.84 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6581558 0.84 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4466824 0.84 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL4455278 0.83 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4474367 0.83 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4464747 0.82 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4466771 0.81 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL4468229 0.81 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL7625370 0.79 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL4458842 0.79 MAPK14 (0.69) 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-7582660-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics C-A-I-R BIOSCIENCES GMBH (DE) 2009-09-01 US disclosed
US-20060235054-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE-GMBH (DE) 2006-10-19 US disclosed
EP-1112265-B1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2004-01-14 EP disclosed
US-6432988-B1 RHEUMATIC DISEASES, (OSTEO)ARTHRITIS, CACHEXIA, INFLAMMATORY BOWEL DISEASE, TOXIC SHOCK SYNDROME, SEPSIS, CROHN*S DISEASE, PSORIASIS AND GOUT TREATMENT MERCKLE GMBH (DE) 2002-08-13 US disclosed
EP-1112265-A1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2001-07-04 EP disclosed
WO-2000017192-A1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2000-03-30 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-20060235054-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics IL2, TPMT, IFNG MAPK14 3841/4885MAPK13 3803/4885MAPK12 3533/4885

“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.