SCHEMBL872269

SCHEMBL872269

O=C(O)C1=CCCCC1S(=O)(=O)Nc1ccc(F)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.73
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PYGL P06737 2/20 0.38
MRGPRX1 Q96LB2 1/20 0.37
ACLY P53396 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL3690868 1.00 TLR4 (0.73) TLR4KMT2AHPGDNPC1RAB9A
SCHEMBL722368 1.00 TLR4 (0.73) TLR4KMT2AHPGDNPC1RAB9A
SCHEMBL27592234 0.97 TLR4 (0.73) TLR4KMT2AHPGDNPC1RAB9A
SCHEMBL27592449 0.93 TLR4 (0.72) TLR4KMT2AHPGDNPC1RAB9A
SCHEMBL28159349 0.88 TLR4 (0.58) TLR4NPC1RAB9AMRGPRX1ACLY
SCHEMBL6229405 0.88 TLR4 (0.58) TLR4KMT2AHPGDNPC1RAB9A
SCHEMBL872918 0.88 TLR4 (0.58) TLR4NPC1RAB9AMRGPRX1ACLY
SCHEMBL16950256 0.88 TLR4 (0.66) TLR4KMT2ANPC1RAB9AMRGPRX1
SCHEMBL6053336 0.86 TLR4 (0.61) TLR4KMT2ANPC1RAB9AACLY
SCHEMBL13911749 0.86 TLR4 (0.56) TLR4NPC1RAB9AMRGPRX1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7247653-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-24 US claimed
EP-1254659-B1 STABLE EMULSION COMPOSITIONS TAKEDA PHARMACEUTICAL (JP) 2006-11-15 EP claimed
US-7105572-B2 Stable emulsion compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-12 US 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
EP-1420783-A1 STABLE EMULSION COMPOSITION Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP 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
WO-2003013513-A1 STABLE EMULSION COMPOSITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-20 WO 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-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 (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-20030212114-A1 Stable emulsion compositions AHR, NR1H2, NR1H3 TLR4 2050/4885KMT2A 767/4885HPGD 1374/4885
US-20050272701-A1 Pharmaceutical composition CEL, HSD17B7, ABCG2 TLR4 2497/4885KMT2A 4682/4885HPGD 896/4885
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885KMT2A 3281/4885HPGD 1096/4885
US-20040253276-A1 Stable emulsion composition PHOSPHO1, SGMS1, SGMS2 TLR4 3985/4885KMT2A 3252/4885HPGD 3392/4885
US-20030216475-A1 Pharmaceutical composition ARRB1, ADRA1B, ADRB1 TLR4 2126/4885KMT2A 4037/4885HPGD 1086/4885

“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.