SCHEMBL872918

SCHEMBL872918

O=C(O)C1=CCCCC1S(=O)(=O)Nc1ccc(F)cc1F

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.58
GAA P10253 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ACLY P53396 1/20 0.41
LMNA P02545 2/20 0.39
TSPO P30536 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.36

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
SCHEMBL28159349 1.00 TLR4 (0.58) TLR4GAANPC1RAB9APOLB
SCHEMBL27985964 0.91 TLR4 (0.55) TLR4GAANPC1RAB9APOLB
SCHEMBL3690868 0.88 TLR4 (0.73) TLR4NPC1RAB9ATP53ACLY
SCHEMBL13911749 0.88 TLR4 (0.56) TLR4GAANPC1RAB9APOLB
SCHEMBL27900565 0.88 TLR4 (0.73) TLR4GAANPC1HTTLMNA
SCHEMBL6224780 0.88 TLR4 (0.58) TLR4GAANPC1RAB9APOLB
SCHEMBL872269 0.88 TLR4 (0.73) TLR4NPC1RAB9ATP53ACLY
SCHEMBL722368 0.88 TLR4 (0.73) TLR4NPC1RAB9ATP53ACLY
SCHEMBL27592236 0.88 TLR4 (0.56) TLR4NPC1RAB9ATP53SMN1; SMN2
SCHEMBL27573711 0.88 TLR4 (0.56) TLR4GAANPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184034-A1 Severe sepsis preventive therapeutic agent TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-28 US claimed
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 claimed
EP-2255785-A2 Stable emulsion composition Takeda Pharmaceutical Company Limited (JP) 2010-12-01 EP claimed
US-20100016381-A1 STABLE EMULSION COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US claimed
EP-1875926-A1 STABLE EMULSION COMPOSITION Takeda Pharmaceutical Company Limited (JP) 2008-01-09 EP claimed
EP-1254659-B1 STABLE EMULSION COMPOSITIONS TAKEDA PHARMACEUTICAL (JP) 2006-11-15 EP claimed
US-20050272701-A1 Pharmaceutical composition ASAKAWA NAOKI 2005-12-08 US claimed
US-6951885-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-04 US claimed
EP-1524263-A1 prodrugs containing cycloalkene derivatives Takeda Pharmaceutical Company Limited (JP) 2005-04-20 EP claimed
EP-1063228-B1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND USE TAKEDA PHARMACEUTICAL (JP) 2005-01-19 EP claimed
US-20040253276-A1 Stable emulsion composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-16 US claimed
US-20030216475-A1 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-11-20 US claimed
US-20030212114-A1 Stable emulsion compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-11-13 US claimed
EP-1310248-A1 PHARMACEUTICAL COMPOSITION Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP claimed
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 claimed
EP-1254659-A1 STABLE EMULSION COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2002-11-06 EP claimed
EP-1063228-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2000-12-27 EP claimed
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-16 US disclosed
EP-1063228-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2000-12-27 EP disclosed
JP-2000178246-A CYCLOALKENE DERIVATIVE, ITS PRODUCTION AND USE THEREOF TAKEDA CHEM IND LTD 2000-06-27 JP 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 (7 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-20030212114-A1 Stable emulsion compositions AHR, NR1H2, NR1H3 TLR4 2050/4885GAA 2724/4885NPC1 177/4885
US-20050272701-A1 Pharmaceutical composition CEL, HSD17B7, ABCG2 TLR4 2497/4885GAA 563/4885NPC1 369/4885
US-20110184034-A1 Severe sepsis preventive therapeutic agent TLR1, TLR5, TLR4 TLR4 3/4885GAA 4092/4885NPC1 3692/4885
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885GAA 3712/4885NPC1 3492/4885
US-20040253276-A1 Stable emulsion composition PHOSPHO1, SGMS1, SGMS2 TLR4 3985/4885GAA 3529/4885NPC1 783/4885
US-20030216475-A1 Pharmaceutical composition ARRB1, ADRA1B, ADRB1 TLR4 2126/4885GAA 1732/4885NPC1 139/4885
US-20100016381-A1 STABLE EMULSION COMPOSITION LIPA, PHOSPHO1, CEL TLR4 3789/4885GAA 495/4885NPC1 341/4885

“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.