SCHEMBL4078469

SCHEMBL4078469

CCOC(=O)Cc1cc(OS(=O)(=O)C(F)(F)F)cc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
ALDH1A1 P00352 7/20 0.45
HPGD P15428 6/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
PKM P14618 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPK1 P28482 3/20 0.42
TP53 P04637 2/20 0.42
TLR9 Q9NR96 2/20 0.42
RAB9A P51151 1/20 0.42
BCL2A1 Q16548 1/20 0.42
GLA P06280 1/20 0.41

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
SCHEMBL27599862 0.79 HSD11B1 (0.38) KDM4EL3MBTL1TDP1HSD11B1
SCHEMBL4089117 0.79 PRMT5 (0.50) ALDH1A1HPGDMAPTKDM4EL3MBTL1
SCHEMBL27618397 0.77 HTR1A (0.37) KMT2AMEN1
SCHEMBL150626 0.77 HSD11B1 (0.38) GAAHPGDMAPTKMT2ANPSR1
SCHEMBL149845 0.77 ALDH1A1 (0.38) GAAALDH1A1HPGDKDM4EKMT2A
SCHEMBL29151406 0.77 ALDH1A1 (0.45) GAAALDH1A1HPGDMAPTKDM4E
SCHEMBL4075611 0.76 ALDH1A1 (0.53) GAAALDH1A1HPGDMAPTKDM4E
SCHEMBL2905044 0.76 SMN1; SMN2 (0.38) GAAALDH1A1HPGDMAPTKDM4E
SCHEMBL2083022 0.75 PKM (0.51) GAAALDH1A1HPGDMAPTKDM4E
SCHEMBL3000425 0.74 NLRP3 (0.43) ALDH1A1MAPTKDM4EKMT2AMEN1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534808-B2 Indolylmaleimide derivatives ELANCO TIERGESUNDHEIT AG (CH) 2009-05-19 US disclosed
US-7534808-B2 Indolylmaleimide derivatives ELANCO TIERGESUNDHEIT AG (CH) 2009-05-19 US disclosed
US-7534808-B2 Indolylmaleimide derivatives ELANCO TIERGESUNDHEIT AG (CH) 2009-05-19 US disclosed
US-20080146578-A1 INDOLYLMALEIMIDE DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2008-06-19 US disclosed
US-20080146578-A1 INDOLYLMALEIMIDE DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2008-06-19 US disclosed
US-20080146578-A1 INDOLYLMALEIMIDE DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2008-06-19 US disclosed
US-20080108628-A1 Treatment of diseases or disorders mediated by T lymphocytes and/or PKC; may be coadminstered with an immunosuppressant, immunomodulatory, anti-inflammatory, antiproliferative or anti-diabetic drug EVENOU JEAN-PIERRE 2008-05-08 US disclosed
US-20080108628-A1 Treatment of diseases or disorders mediated by T lymphocytes and/or PKC; may be coadminstered with an immunosuppressant, immunomodulatory, anti-inflammatory, antiproliferative or anti-diabetic drug EVENOU JEAN-PIERRE 2008-05-08 US disclosed
US-20080108628-A1 Treatment of diseases or disorders mediated by T lymphocytes and/or PKC; may be coadminstered with an immunosuppressant, immunomodulatory, anti-inflammatory, antiproliferative or anti-diabetic drug EVENOU JEAN-PIERRE 2008-05-08 US disclosed
US-7358253-B2 Indolylmaleimide derivatives NOVARTIS AG (CH) 2008-04-15 US disclosed
US-7235555-B2 Indolylmaleimide derivatives NOVARTIS AG (CH) 2007-06-26 US disclosed
US-20070037826-A1 Treatment of diseases or disorders mediated by T lymphocytes and/or PKC, e.g., acute or chronic rejection of organ or tissue allo- or xenografts or graft versus host disease ELANCO TIERGESUNDHEIT AG (CH) 2007-02-15 US disclosed
US-20070037826-A1 Treatment of diseases or disorders mediated by T lymphocytes and/or PKC, e.g., acute or chronic rejection of organ or tissue allo- or xenografts or graft versus host disease ELANCO TIERGESUNDHEIT AG (CH) 2007-02-15 US disclosed
US-20070037826-A1 Treatment of diseases or disorders mediated by T lymphocytes and/or PKC, e.g., acute or chronic rejection of organ or tissue allo- or xenografts or graft versus host disease ELANCO TIERGESUNDHEIT AG (CH) 2007-02-15 US disclosed
US-20070032507-A1 Indolylmaleimide derivatives ELANCO TIERGESUNDHEIT AG (CH) 2007-02-08 US disclosed
US-20070032507-A1 Indolylmaleimide derivatives ELANCO TIERGESUNDHEIT AG (CH) 2007-02-08 US disclosed
US-20070032507-A1 Indolylmaleimide derivatives ELANCO TIERGESUNDHEIT AG (CH) 2007-02-08 US disclosed
US-20050119274-A1 Indolylmaleimide derivatives NOVARTIS AG (CH) 2005-06-02 US disclosed
EP-1490355-A1 INDOLYLMALEIMIDE DERIVATIVES Novartis AG (CH) 2004-12-29 EP disclosed
WO-2003082859-A1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2003-10-09 WO 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 (5 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-20070032507-A1 Indolylmaleimide derivatives MYLK2, DGKK, LCK GAA 4153/4885ALDH1A1 3744/4885HPGD 2531/4885
US-20080108628-A1 Treatment of diseases or disorders mediated by T lymphocytes and/or PKC; may be coadminstered with an immunosuppressant, immunomodulatory, anti-inflammatory, antiproliferative or anti-diabetic drug NFATC1, CD4, LCK GAA 1456/4885ALDH1A1 3642/4885HPGD 1305/4885
US-20050119274-A1 Indolylmaleimide derivatives MYLK2, DGKK, LCK GAA 4153/4885ALDH1A1 3744/4885HPGD 2531/4885
US-20080146578-A1 INDOLYLMALEIMIDE DERIVATIVES MYLK2, LCK, DGKK GAA 4257/4885ALDH1A1 3764/4885HPGD 2728/4885
US-20070037826-A1 Treatment of diseases or disorders mediated by T lymphocytes and/or PKC, e.g., acute or chronic rejection of organ or tissue allo- or xenografts or graft versus host disease DGKK, DGKG, HLA-DRB1 GAA 3308/4885ALDH1A1 4089/4885HPGD 3619/4885

“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.