SCHEMBL870838

SCHEMBL870838

CCOC(=O)C1=CCCCC1S(=O)(=O)Nc1ccccc1OC(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.64
MRGPRX1 Q96LB2 8/20 0.40
EPHX2 P34913 1/20 0.38
TSPO P30536 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL871581 0.86 TLR4 (0.63) TLR4MRGPRX1TSPOMEN1KMT2A
SCHEMBL871808 0.86 TLR4 (0.63) TLR4MRGPRX1MEN1KMT2A
SCHEMBL872015 0.85 TLR4 (0.75) TLR4MRGPRX1TSPOKMT2A
SCHEMBL872228 0.84 TLR4 (0.64) TLR4MRGPRX1KMT2A
SCHEMBL872541 0.84 TLR4 (0.64) TLR4MRGPRX1KMT2A
SCHEMBL872915 0.83 TLR4 (0.75) TLR4MRGPRX1KMT2A
SCHEMBL871405 0.82 TLR4 (0.62) TLR4MRGPRX1KMT2A
SCHEMBL872583 0.81 TLR4 (0.69) TLR4MRGPRX1TSPOKMT2A
SCHEMBL871427 0.80 TLR4 (0.62) TLR4KMT2A
SCHEMBL872983 0.79 TLR4 (0.70) TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20150203464-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-23 US disclosed
US-20150051256-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-19 US disclosed
US-8901171-B2 Compounds for suppressing a peripheral nerve disorder induced by an anti-cancer agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 US disclosed
US-20130345304-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-26 US disclosed
US-20130046000-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-02-21 US disclosed
EP-2528598-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI - CANCER AGENT Takeda Pharmaceutical Company Limited (JP) 2012-12-05 EP disclosed
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
WO-2011093512-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI - CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-04 WO 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 (9 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-20130345304-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885MRGPRX1 1567/4885EPHX2 3581/4885
US-20040063685-A1 Cycloalkene antisepsis drug with antibacterial, antifungal, nonsteroidal antiinflammatory, steroid and/or anticoagulant agents ELANE, MMP8, SERPINC1 TLR4 567/4885MRGPRX1 747/4885EPHX2 1205/4885
US-20030212114-A1 Stable emulsion compositions AHR, NR1H2, NR1H3 TLR4 2050/4885MRGPRX1 651/4885EPHX2 262/4885
US-20150203464-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885MRGPRX1 1567/4885EPHX2 3581/4885
US-20130046000-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885MRGPRX1 1567/4885EPHX2 3581/4885
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885MRGPRX1 1567/4885EPHX2 3581/4885
US-20030216475-A1 Pharmaceutical composition ARRB1, ADRA1B, ADRB1 TLR4 2126/4885MRGPRX1 1041/4885EPHX2 635/4885
US-20120077856-A1 PHARMACEUTICAL PRODUCT ATF1, ATF4, TLR8 TLR4 13/4885MRGPRX1 275/4885EPHX2 1650/4885
US-20150051256-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885MRGPRX1 1567/4885EPHX2 3581/4885

“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.