SCHEMBL6289380

SCHEMBL6289380

CC1=CN(Cc2ccc(F)c(F)c2)Cc2sc(C#CCc3ccccc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
DRD4 P21917 1/20 0.31
CLPP Q16740 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL6292195 0.75 ALDH1A1 (0.38) SIGMAR1ALDH1A1HTTPTGS1PTGS2
SCHEMBL6696654 0.71 MMP13 (0.38) SIGMAR1HTT
SCHEMBL6696647 0.69 CLPP (0.35) SIGMAR1CLPP
SCHEMBL6288776 0.69 ALDH1A1 (0.34) SIGMAR1ALDH1A1
SCHEMBL6703987 0.69 CLPP (0.37) SIGMAR1ALDH1A1HTTCLPP
SCHEMBL6681942 0.68 MMP13 (0.46) ALDH1A1PTGS1PTGS2
SCHEMBL5957479 0.67 TRPA1 (0.49)
SCHEMBL6289385 0.66
SCHEMBL6703449 0.65 MMP13 (0.52) ALDH1A1
SCHEMBL6696579 0.64 CLPP (0.33) SIGMAR1ALDH1A1HTTCLPP

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
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US claimed
US-6949651-B2 Fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-09-27 US disclosed
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US disclosed
WO-2004014375-A2 FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040034054-A1 Fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 SIGMAR1 4010/4885ALDH1A1 337/4885HTT 4672/4885

“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.