SCHEMBL403196

SCHEMBL403196

COC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.71
L3MBTL1 Q9Y468 3/20 0.62
GAA P10253 3/20 0.62
ALDH1A1 P00352 6/20 0.61
MAPT P10636 2/20 0.61
NPSR1 Q6W5P4 3/20 0.60
MAPK1 P28482 1/20 0.60
DGAT1 O75907 1/20 0.51
OPRD1 P41143 1/20 0.48
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
S1PR4 O95977 4/20 0.44
S1PR1 P21453 4/20 0.44
S1PR5 Q9H228 4/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
S1PR3 Q99500 2/20 0.43
LDHA P00338 1/20 0.43
C1S P09871 1/20 0.43

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
SCHEMBL404394 0.86 PLK1 (0.71) PLK1L3MBTL1GAAALDH1A1MAPT
Hydrochloric Acid SCHEMBL8186534 0.85 PLK1 (0.69) PLK1L3MBTL1GAAALDH1A1MAPT
SCHEMBL1029314 0.85 PLK1 (0.62) PLK1L3MBTL1GAAALDH1A1MAPT
SCHEMBL1799551 0.84 PLK1 (0.72) PLK1L3MBTL1GAAALDH1A1MAPT
SCHEMBL8189536 0.83 PLK1 (0.60) PLK1L3MBTL1GAAALDH1A1MAPT
SCHEMBL1963231 0.81 PLK1 (0.68) PLK1L3MBTL1GAAALDH1A1MAPT
SCHEMBL3054006 0.81 PLK1 (0.68) PLK1L3MBTL1GAAALDH1A1MAPT
SCHEMBL12396903 0.79 OPRD1 (0.73) L3MBTL1GAAALDH1A1MAPTMAPK1
SCHEMBL14234477 0.78 ALDH1A1 (0.56) L3MBTL1GAAALDH1A1MAPTMAPK1
SCHEMBL2325062 0.78 OPRD1 (0.51) PLK1L3MBTL1GAAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206710-B1 Indole derivatives as S1P1 receptor agonists GLAXO GROUP LTD (GB) 2012-07-04 EP disclosed
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 US disclosed
EP-2091949-B1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2011-05-18 EP disclosed
EP-2206710-A1 Indole derivatives as S1P1 receptor agonists Glaxo Group Limited (GB) 2010-07-14 EP disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US disclosed
EP-2091949-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-08-26 EP disclosed
WO-2008074821-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
US-6562840-B1 Non-peptidic inhibitors of proteolytic enzymes such as urokinase 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-6515002-B2 4-(4-(1-phenyl-5-propylpyrazol4-yl)(1,3-thiazol-2-yl))-5 -methylthiothiophene-2-carboxamidine, for example; complement inhibitors; treating tissue damage, inflammation, or autoimmune diseases 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-04 US disclosed
US-6492403-B1 TREATING SYMPTOMS OF ACUTE OR CHRONIC DISORDER MEDIATED BY CLASSICAL PATHWAY OF COMPLEMENT CASCADE; PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-12-10 US disclosed
CN-1337961-A Heteroaryl amidines, methyl amidiues and guanidines as protease inhibitors DIMENSIONAL PHARM INC (US) 2002-02-27 CN disclosed
EP-1152759-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-14 EP disclosed
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP disclosed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 US disclosed
US-6291514-B1 Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-18 US disclosed
WO-2000047194-A9 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR DIMENSIONAL PHARM INC (US) 2001-05-31 WO disclosed
EP-1054886-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-11-29 EP disclosed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
WO-2000047194-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
WO-1999040088-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-08-12 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 (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-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR S1PR1, S1PR3, S1PR2 PLK1 504/4885L3MBTL1 3546/4885GAA 4809/4885
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 PLK1 3061/4885L3MBTL1 2626/4885GAA 533/4885

“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.