SCHEMBL6889077

SCHEMBL6889077

CCOCn1nnc(-c2ccc(F)cc2)c1-c1cnc(Oc2ccccc2)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.54
SCN9A Q15858 5/20 0.39
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 3/20 0.37
TSHR P16473 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
MMP13 P45452 2/20 0.36
USP2 O75604 2/20 0.33
CYP2C9 P11712 2/20 0.33
CDC7 O00311 1/20 0.33
DAPK3 O43293 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
PIM1 P11309 1/20 0.33

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
SCHEMBL6897325 0.81 MAPK14 (0.53) MAPK14SCN9AMMP13CDC7DAPK3
SCHEMBL6897328 0.80 MAPK14 (0.52) MAPK14ALDH1A1TSHRHSD17B10MEN1
SCHEMBL6769766 0.79 MAPK14 (0.54) MAPK14SCN9AALDH1A1CYP1A2TSHR
SCHEMBL6624696 0.77 MAPK14 (0.57) MAPK14SCN9A
SCHEMBL6774297 0.77 MAPK14 (0.54) MAPK14SCN9AALDH1A1CYP1A2TSHR
SCHEMBL6773031 0.75 MAPK14 (0.54) MAPK14SCN9AALDH1A1CYP1A2TSHR
SCHEMBL6773933 0.75 MAPK14 (0.54) MAPK14SCN9AALDH1A1CYP1A2TSHR
SCHEMBL6774345 0.74 MAPK14 (0.53) MAPK14SCN9AALDH1A1CYP1A2TSHR
SCHEMBL6774342 0.74 MAPK14 (0.53) MAPK14SCN9AALDH1A1CYP1A2TSHR
SCHEMBL6772997 0.72 MAPK14 (0.55) MAPK14SCN9AMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPK14 3429/4885SCN9A 1670/4885ALDH1A1 289/4885

“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.