SCHEMBL5828685

SCHEMBL5828685

CC(=O)OC[C@H]1O[C@@H](n2cc(C3=C(c4cn(S(=O)(=O)c5ccccc5)c5ncccc45)C(=O)N(COCc4ccccc4)C3=O)c3cccnc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
CA1 P00915 10/20 0.38
CA2 P00918 10/20 0.38
CA9 Q16790 10/20 0.38
CA12 O43570 9/20 0.38
CA14 Q9ULX7 9/20 0.38
LMNA P02545 2/20 0.37
PRKCA P17252 1/20 0.37
AKT1 P31749 1/20 0.37
PTK2 Q05397 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36

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
SCHEMBL5828553 0.96 PTGS2 (0.47) PTGS2CA1CA2CA9CA12
SCHEMBL5828083 0.96 PTGS2 (0.44) PTGS2CA1CA2CA9CA12
SCHEMBL5828426 0.90 PTGS2 (0.43) PTGS2CA1CA2CA9CA12
SCHEMBL5828022 0.86 LMNA (0.39) PTGS2CA1CA2CA9CA12
SCHEMBL5828106 0.86 LMNA (0.41) PTGS2CA1CA2CA9CA12
SCHEMBL5828025 0.86 LMNA (0.39) PTGS2CA1CA2CA9CA12
SCHEMBL5828229 0.86 PTGS2 (0.45) PTGS2CA1CA2CA9CA12
SCHEMBL5827873 0.80 LMNA (0.39) PTGS2CA1CA2CA9CA12
SCHEMBL6197547 0.76 LMNA (0.47) CA1CA2CA9CA12CA14
SCHEMBL5828932 0.75 LMNA (0.45) CA1CA2CA9CA12CA14

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-7001906-B2 Pyrido-pyrido-pyrrolo pyrrolo-indole and pyrido-pyrrolo pyrrolo carbazole derivatives, method for the production thereof and pharmaceutical compositions containing said derivatives LES LABORATOIRES SERVIER (FR) 2006-02-21 US disclosed
US-20040152721-A1 Pyrido-pyrido-pyrrolo pyrrolo-indole and pyrido-pyrrolo pyrrolo carbazole derivatives, method for the production thereof and pharmaceutical compositions containing said derivatives LES LABORATOIRES SERVIER (FR) 2004-08-05 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-20040152721-A1 Pyrido-pyrido-pyrrolo pyrrolo-indole and pyrido-pyrrolo pyrrolo carbazole derivatives, method for the production thereof and pharmaceutical compositions containing said derivatives PYM1, PNPO, IDO1 PTGS2 557/4885CA1 3366/4885CA2 2485/4885

“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.