SCHEMBL6772267

SCHEMBL6772267

CS(=O)(=O)c1ccc(-n2nnc(-c3ccc(F)cc3)c2-c2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.56
PTGS1 P23219 3/20 0.53
MAPK14 Q16539 3/20 0.52
MAPK11 Q15759 2/20 0.52
ALDH1A1 P00352 1/20 0.52
ALOX5 P09917 1/20 0.52
CSNK1A1 P48729 1/20 0.52
CSNK1D P48730 1/20 0.52
CSNK1E P49674 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CSNK1A1L Q8N752 1/20 0.52
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA4 P22748 3/20 0.48
CA9 Q16790 3/20 0.48
MAPK13 O15264 1/20 0.46
RAF1 P04049 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK12 P53778 1/20 0.46

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
SCHEMBL6772178 0.87 MAPK14 (0.54) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6768792 0.84 SRC (0.60) MAPK14MAPK11CSNK1A1CSNK1DCSNK1E
SCHEMBL6772362 0.81 MAPK14 (0.49) MAPK14MAPK11CA1CA2CA4
SCHEMBL6779368 0.81 SRC (0.60) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6774270 0.81 MAPK14 (0.47) MAPK14MAPK11CSNK1DMAPK13MAPK12
SCHEMBL6623278 0.81 SRC (0.58) PTGS2MAPK14MAPK11ALOX5SMN1; SMN2
SCHEMBL6771371 0.81 SRC (0.62) MAPK14MAPK11ALOX5MAPK13MAPK12
SCHEMBL6774561 0.81 MAPK14 (0.63) MAPK14MAPK11ALOX5CSNK1A1CSNK1D
SCHEMBL6773296 0.81 MAPK14 (0.57) MAPK14MAPK11ALOX5CSNK1ESMN1; SMN2
SCHEMBL6772797 0.78 MAPK14 (0.54) MAPK14MAPK11ALDH1A1ALOX5CSNK1D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1505625-A Triazole compounds useful in treating diseases associated with unwanted cytokine activity 2004-06-16 CN claimed
US-6727364-B2 ANTIINFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY 2004-04-27 US claimed
US-20030013712-A1 Triazole compounds useful in treating diseases associated with unwanted cytokine activity PROCTER & GAMBLE COMPANY, THE 2003-01-16 US claimed
US-6727364-B2 ANTIINFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY 2004-04-27 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-20030013712-A1 Triazole compounds useful in treating diseases associated with unwanted cytokine activity IL4, IL1A, IL2 PTGS2 798/4885PTGS1 388/4885MAPK14 3429/4885

“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.