SCHEMBL1748862

SCHEMBL1748862

Cc1ccc(S(=O)(=O)n2c(I)cc3cc(F)cnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
ALDH3A1 P30838 3/20 0.39
NOD1 Q9Y239 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 2/20 0.39
POLB P06746 2/20 0.39
CXCL8 P10145 1/20 0.38
GAA P10253 1/20 0.38
NOD2 Q9HC29 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL30280392 0.85 ENPP3 (0.48) LMNAALDH3A1NOD1L3MBTL1HTT
SCHEMBL25784790 0.82 NOD1 (0.38) LMNAALDH3A1NOD1L3MBTL1HTT
SCHEMBL1778953 0.81 NR1H2 (0.43) LMNAALDH3A1NOD1L3MBTL1HTT
SCHEMBL14439418 0.81 NOD1 (0.40) LMNAALDH3A1NOD1L3MBTL1HTT
SCHEMBL22390110 0.80 NPSR1 (0.42) L3MBTL1HTTPOLBALDH1A1MAPT
Hydrochloric Acid SCHEMBL30669834 0.80 NOD1 (0.39) LMNAALDH3A1NOD1L3MBTL1HTT
SCHEMBL1749134 0.79 L3MBTL1 (0.58) LMNAALDH3A1NOD1L3MBTL1HTT
SCHEMBL15907696 0.79 SLC40A1 (0.45) LMNAALDH3A1NOD1L3MBTL1HTT
SCHEMBL1749189 0.77 PTGDR2 (0.37) LMNAALDH3A1NOD1L3MBTL1HTT
SCHEMBL1749037 0.76 L3MBTL1 (0.61) LMNAALDH3A1NOD1L3MBTL1HTT

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 LMNA 3851/4885ALDH3A1 2782/4885NOD1 2733/4885
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 LMNA 3851/4885ALDH3A1 2782/4885NOD1 2733/4885

“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.