SCHEMBL5824403

SCHEMBL5824403

CCCCC(C)C(=O)N=C=S

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.42
FDPS P14324 2/20 0.36
CA2 P00918 8/20 0.35
MAPK1 P28482 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
SLC15A1 P46059 1/20 0.33
NAAA Q02083 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL5825103 0.88 TRPA1 (0.37) CA1FDPSMAPK1
SCHEMBL5737555 0.74 CA1 (0.47) CA1FDPSCA2MAPK1ACE2
SCHEMBL6033881 0.73 MAPT (0.55) FDPSCA2ACE2NAAAFFAR4
SCHEMBL6722174 0.72
SCHEMBL277109 0.70
SCHEMBL16142670 0.69 CA1 (0.57) CA1FDPSACE2FFAR4FFAR1
SCHEMBL36633 0.69 CA1 (0.62) CA1FDPSCA2MAPK1ACE2
SCHEMBL276554 0.68
SCHEMBL7546267 0.68
SCHEMBL10037941 0.68

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-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP 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 (2 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-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA CA1 4881/4885FDPS 4705/4885CA2 3954/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA CA1 4879/4885FDPS 4702/4885CA2 3796/4885

“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.