SCHEMBL871459

SCHEMBL871459

CCOC(=O)C1=C(S)CCC(C)(C)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALOX15 P16050 1/20 0.45
ACHE P22303 3/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 5/20 0.33
TSHR P16473 3/20 0.33
MAPK1 P28482 2/20 0.33
GAA P10253 2/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
PKM P14618 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL1862858 0.84 KDM4E (0.45) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL20366930 0.83 KDM4E (0.47) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL1859564 0.79 GABRP (0.43) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL19106121 0.78 KDM4E (0.42) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL6230847 0.77 KMT2A (0.41) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL872457 0.76 KMT2A (0.41) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL1864006 0.76 KDM4E (0.38) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL4133061 0.74 KDM4E (0.47) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL26023633 0.74 KDM4E (0.52) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL6226449 0.74 MAPT (0.47) KDM4EMAPTMEN1KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077856-A1 PHARMACEUTICAL PRODUCT TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-03-29 US disclosed
EP-2366389-A1 Severe sepsis preventive therapeutic agent Takeda Pharmaceutical Company Limited (JP) 2011-09-21 EP disclosed
US-20110184034-A1 Severe sepsis preventive therapeutic agent TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-28 US disclosed
US-7960416-B2 Oil-in-water emulsion of a 1-carboxylate-6-arylsulfamoyl cyclohexene and synthetic and naturally occurring phospholipids; nitric oxide or cytokine prodution inhibitors; cardiovascular disorders, autoimmune dieseases, septic shock; improved stability during autoclave sterilization TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
EP-2260869-A2 Pharmaceutical product Takeda Pharmaceutical Company Limited (JP) 2010-12-15 EP disclosed
EP-2255785-A2 Stable emulsion composition Takeda Pharmaceutical Company Limited (JP) 2010-12-01 EP disclosed
US-20100016381-A1 STABLE EMULSION COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
US-20090105314-A1 Pharmaceutical Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-04-23 US disclosed
US-20090062355-A1 Pharmaceutical Product TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-03-05 US disclosed
EP-2018872-A1 PHARMACEUTICAL PRODUCT Takeda Pharmaceutical Company Limited (JP) 2009-01-28 EP disclosed
EP-1420783-A1 STABLE EMULSION COMPOSITION Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP disclosed
US-20040063685-A1 Cycloalkene antisepsis drug with antibacterial, antifungal, nonsteroidal antiinflammatory, steroid and/or anticoagulant agents TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
US-20030216475-A1 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-11-20 US disclosed
US-20030212114-A1 Stable emulsion compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-11-13 US disclosed
EP-1348443-A1 COMBINATION DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-01 EP disclosed
EP-1310248-A1 PHARMACEUTICAL COMPOSITION Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
WO-2003013513-A1 STABLE EMULSION COMPOSITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-20 WO disclosed
US-6495604-B1 SUCH AS D-ETHYL-6-(N-(2,4-DIFLUOROPHENYL)SULFAMOYL)-1-CYCLOHEXENE-1-CARBOXYLATE FOR INHIBITING NITRIC OXIDE AND/OR CYTOKINE PRODUCTION; FOR PREVENTING OR TREATING CARDIAC DISEASE, AUTOIMMUNE DISEASE OR SEPTIC SHOCK TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-17 US disclosed
EP-1254659-A1 STABLE EMULSION COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2002-11-06 EP disclosed
EP-1063228-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2000-12-27 EP 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 (8 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-20040063685-A1 Cycloalkene antisepsis drug with antibacterial, antifungal, nonsteroidal antiinflammatory, steroid and/or anticoagulant agents ELANE, MMP8, SERPINC1 KDM4E 3790/4885MAPT 4685/4885MEN1 3104/4885
US-20030212114-A1 Stable emulsion compositions AHR, NR1H2, NR1H3 KDM4E 2157/4885MAPT 3419/4885MEN1 2874/4885
US-20090105314-A1 Pharmaceutical Agent TLR1, TLR6, TPMT KDM4E 1735/4885MAPT 4175/4885MEN1 2558/4885
US-20090062355-A1 Pharmaceutical Product ATF1, ATF4, TLR8 KDM4E 3462/4885MAPT 2911/4885MEN1 4671/4885
US-20110184034-A1 Severe sepsis preventive therapeutic agent TLR1, TLR5, TLR4 KDM4E 4235/4885MAPT 4726/4885MEN1 4661/4885
US-20030216475-A1 Pharmaceutical composition ARRB1, ADRA1B, ADRB1 KDM4E 4352/4885MAPT 1845/4885MEN1 2960/4885
US-20120077856-A1 PHARMACEUTICAL PRODUCT ATF1, ATF4, TLR8 KDM4E 3462/4885MAPT 2911/4885MEN1 4671/4885
US-20100016381-A1 STABLE EMULSION COMPOSITION LIPA, PHOSPHO1, CEL KDM4E 2592/4885MAPT 1037/4885MEN1 2453/4885

“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.