SCHEMBL1749156

SCHEMBL1749156

Cc1ccc(S(=O)(=O)n2c(I)cc3c(C)ccnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
ALDH3A1 P30838 2/20 0.41
HTT P42858 2/20 0.41
NOD1 Q9Y239 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.39
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 3/20 0.36
CXCL8 P10145 1/20 0.36
NOD2 Q9HC29 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LATS1 O95835 1/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL30668854 0.87 PTGDR2 (0.44) PTGDR2L3MBTL1ALDH3A1HTTNOD1
SCHEMBL1354451 0.87 PTGDR2 (0.44) PTGDR2L3MBTL1ALDH3A1HTTNOD1
SCHEMBL28694297 0.87 PTGDR2 (0.46) PTGDR2L3MBTL1ALDH3A1HTTNOD1
SCHEMBL1749021 0.87 PTGDR2 (0.44) PTGDR2L3MBTL1ALDH3A1HTTNOD1
SCHEMBL13014031 0.87 PTGDR2 (0.44) PTGDR2L3MBTL1ALDH3A1HTTNOD1
SCHEMBL1777233 0.85 PTGDR2 (0.42) PTGDR2L3MBTL1ALDH3A1HTTNOD1
SCHEMBL1777988 0.84 HSD11B1 (0.42) PTGDR2L3MBTL1ALDH3A1HTTNOD1
SCHEMBL1778080 0.84 PTGDR2 (0.49) PTGDR2L3MBTL1ALDH3A1HTTNOD1
SCHEMBL1778795 0.83 PTGDR2 (0.46) PTGDR2L3MBTL1ALDH3A1HTTNOD1
SCHEMBL13521655 0.83 PTGDR2 (0.43) PTGDR2L3MBTL1ALDH3A1HTTNOD1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968566-B2 Pyrrolo(2,3-b) pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2011-06-28 US disclosed
US-20090233956-A1 NOVEL PYRROLO(2,3-b) PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2009-09-17 US disclosed
US-7528147-B2 Pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2009-05-05 US disclosed
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2007-04-26 US disclosed
CN-1950083-A Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA SA (FR) 2007-04-18 CN 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 (2 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-20090233956-A1 NOVEL PYRROLO(2,3-b) PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K1 PTGDR2 806/4885L3MBTL1 4601/4885ALDH3A1 2782/4885
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors MAP3K19, MAP4K2, MAP3K1 PTGDR2 806/4885L3MBTL1 4601/4885ALDH3A1 2782/4885

“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.