SCHEMBL5828229

SCHEMBL5828229

CC(=O)OC[C@H]1O[C@@H](n2cc(C3=C(c4cn(S(=O)(=O)c5ccccc5)c5ncccc45)C(=O)N(C)C3=O)c3ccccc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.45
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
CA1 P00915 10/20 0.40
CA2 P00918 10/20 0.40
CA9 Q16790 10/20 0.40
CA12 O43570 8/20 0.40
CA14 Q9ULX7 8/20 0.40
GAPDH P04406 1/20 0.40
PRKCA P17252 1/20 0.39
AKT1 P31749 1/20 0.39
PTK2 Q05397 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
MMP12 P39900 1/20 0.37

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
SCHEMBL5828426 0.95 PTGS2 (0.43) PTGS2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL5828083 0.90 PTGS2 (0.44) PTGS2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL5828685 0.86 PTGS2 (0.43) PTGS2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL5828553 0.85 PTGS2 (0.47) PTGS2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL5828047 0.83 LMNA (0.45) PTGS2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL5828429 0.81 LMNA (0.41) PTGS2LMNATHRBSMN1; SMN2HIF1A
SCHEMBL6197547 0.81 LMNA (0.47) LMNATHRBSMN1; SMN2HIF1ACA1
SCHEMBL5828932 0.80 LMNA (0.45) LMNATHRBSMN1; SMN2HIF1ACA1
SCHEMBL5827541 0.79 LMNA (0.47) LMNATHRBSMN1; SMN2HIF1ACA1
SCHEMBL6081330 0.76 LMNA (0.42) LMNATHRBSMN1; SMN2HIF1ACA1

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 557/4885LMNA 4488/4885THRB 2620/4885

“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.