SCHEMBL4098042

SCHEMBL4098042

O=C(Cc1cccc(O)c1)NCc1ccc(CNC(=O)c2cccnc2Oc2cccc(C(=O)O)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.60
HPGD P15428 3/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LOX P28300 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44

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
SCHEMBL4081804 0.90 MAPK8 (0.63) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL4459782 0.89 MAPK8 (0.53) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL7307728 0.88 MAPK8 (0.78) MAPK8HPGDKMT2ALOXLOXL2
SCHEMBL4086682 0.82 MAPK8 (0.52) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL4082338 0.79 MAPK8 (0.55) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL4082313 0.77 MAPK8 (0.53) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL7310026 0.77 MAPK8 (1.00) MAPK8
SCHEMBL4092424 0.77 MAPK8 (0.60) MAPK8
SCHEMBL7371941 0.76 MAPK8 (0.65) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL7319190 0.76 MAPK8 (0.78) MAPK8HPGDKMT2A

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-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS JUNG BIRGIT 2009-01-15 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-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 MAPK8 88/4885HPGD 888/4885KMT2A 3538/4885

“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.