SCHEMBL4928323

SCHEMBL4928323

OC1CCCCC1N=C=S

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APLNR P35414 3/20 0.40
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 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
SCHEMBL3056195 1.00 APLNR (0.40) APLNRCA1CA2CA4
SCHEMBL11508353 0.82 APLNR (0.50) APLNR
SCHEMBL16434721 0.76 CA1 (0.33) CA1CA2CA4
SCHEMBL8416856 0.76 ALDH1A1 (0.46) CA1CA2CA4
SCHEMBL11582392 0.71 APLNR (0.40) APLNR
SCHEMBL21406329 0.71 APLNR (0.43) APLNRCA1CA2CA4
SCHEMBL13311922 0.70 APLNR (0.42) APLNRCA1CA2CA4
SCHEMBL11582155 0.70 APLNR (0.39) APLNR
SCHEMBL11584123 0.70 APLNR (0.39) APLNR
SCHEMBL13310980 0.70 APLNR (0.42) APLNRCA1CA2CA4

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-20080096929-A1 Novel Use ASTRAZENECA AB (SE) 2008-04-24 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-20080096929-A1 Novel Use MPO, EPX, XDH APLNR 3397/4885CA1 1074/4885CA2 2991/4885

“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.