SCHEMBL4813487

SCHEMBL4813487

[CH2]CCCS(=O)(=O)NCCC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.46
RELA Q04206 4/20 0.42
PPARA Q07869 3/20 0.42
CA2 P00918 5/20 0.38
CA12 O43570 2/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL1259576 0.89 CA1 (0.52) CA1RELAPPARACA2CA12
SCHEMBL11515763 0.86 CA1 (0.55) CA1RELAPPARACA2CA12
SCHEMBL2051122 0.85 RELA (0.49) CA1RELAPPARACA2CA12
SCHEMBL5689488 0.84 CA1 (0.52) CA1RELAPPARACA2CA12
SCHEMBL2045863 0.83 RELA (0.56) CA1RELAPPARACA2CA12
SCHEMBL2048673 0.83 CA1 (0.43) CA1RELAPPARACA2CA12
SCHEMBL3665147 0.83 RELA (0.46) CA1RELAPPARACA2CA12
SCHEMBL4998398 0.82 RELA (0.58) CA1RELAPPARACA2CA12
SCHEMBL9112655 0.82 RELA (0.58) CA1RELAPPARACA2CA12
SCHEMBL4813095 0.81 CA1 (0.44) CA1RELAPPARACA2CA12

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-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 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-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 CA1 2163/4885RELA 3214/4885PPARA 4624/4885

“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.