SCHEMBL6703987

SCHEMBL6703987

Fc1ccc(CN2C=Nc3sc(C#CCc4ccccc4)nc3C2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 4/20 0.37
TP53 P04637 1/20 0.36
SIGMAR1 Q99720 2/20 0.33
MAPK14 Q16539 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31
NTRK1 P04629 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
SCHEMBL6704154 0.82 MMP13 (0.39) ALDH1A1
SCHEMBL6699473 0.77 MAOB (0.45) CLPPTP53ALDH1A1
SCHEMBL6696579 0.73 CLPP (0.33) CLPPTP53SIGMAR1MAPK14ALDH1A1
SCHEMBL6700606 0.73 CLPP (0.38) CLPPTP53SIGMAR1ALDH1A1POLB
SCHEMBL6818720 0.73 PTGER4 (0.50) TP53
SCHEMBL6702415 0.73 CLPP (0.33) CLPPTP53SIGMAR1MAPK14ALDH1A1
SCHEMBL6818736 0.70 MAPT (0.32) TP53POLB
SCHEMBL6289380 0.69 SIGMAR1 (0.32) CLPPSIGMAR1ALDH1A1HTT
SCHEMBL6696585 0.69 CLPP (0.33) CLPPSIGMAR1ALDH1A1HTT
SCHEMBL6826657 0.67 LMNA (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 CLPP 3282/4885TP53 452/4885SIGMAR1 4366/4885

“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.