SCHEMBL872382

SCHEMBL872382

CCOC(=O)C1=CCCCC1S(=O)(=O)Cc1ccc(F)cc1F

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.60
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
P2RY12 Q9H244 1/20 0.40
RORC P51449 1/20 0.36
GAA P10253 2/20 0.35
MAPK14 Q16539 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL871297 0.90 TLR4 (0.68) TLR4EPHX2
SCHEMBL27985963 0.85 TLR4 (0.41) TLR4ALDH1A1TDP1RORCGAA
SCHEMBL1824250 0.80 TLR4 (0.82) TLR4MAPK14
SCHEMBL872123 0.80 TLR4 (0.82) TLR4MAPK14
SCHEMBL10178083 0.79 TLR4 (0.55) TLR4ALDH1A1GAA
SCHEMBL871281 0.78 TLR4 (0.79) TLR4
SCHEMBL871622 0.78 TLR4 (0.50) TLR4ALDH1A1GAA
SCHEMBL878254 0.78 TLR4 (0.48) TLR4ALDH1A1TDP1CYP3A4CYP2C9
SCHEMBL872084 0.78 TLR4 (0.82) TLR4MAPK14
SCHEMBL871428 0.76 TLR4 (0.82) 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 29 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
EP-1209149-B9 SUBSTITUTED AROMATIC-RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME, AND USE TAKEDA PHARMACEUTICAL (JP) 2011-08-31 EP disclosed
EP-2018855-A1 PHARMACEUTICAL AGENT Takeda Pharmaceutical Company Limited (JP) 2009-01-28 EP disclosed
US-7417059-B2 Substituted aromatic-ring compounds, process for producing the same and use TAKEDA PHARMACETICAL COMPANY LIMITED (JP) 2008-08-26 US disclosed
EP-1875926-A1 STABLE EMULSION COMPOSITION Takeda Pharmaceutical Company Limited (JP) 2008-01-09 EP disclosed
US-7078540-B1 Substituted aromatic-ring compounds, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-18 US disclosed
US-20060058288-A1 Severe sepsis preventive therapeutic agent TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2006-03-16 US disclosed
US-20050176783-A1 Substituted aromatic-ring compounds, process for producing the same and use TAMURA NORIKAZU (JP) 2005-08-11 US disclosed
EP-1495756-A1 SEVERE SEPSIS PREVENTIVE THERAPEUTIC AGENT Takeda Chemical Industries, Ltd. (JP) 2005-01-12 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
EP-1348443-A1 COMBINATION DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-01 EP disclosed
EP-1209149-A1 SUBSTITUTED AROMATIC-RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2002-05-29 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-20050176783-A1 Substituted aromatic-ring compounds, process for producing the same and use IL1B, IL1A, ARG1 TLR4 129/4885ALDH1A1 740/4885TDP1 3900/4885
US-20130345304-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885ALDH1A1 2141/4885TDP1 342/4885
US-20040063685-A1 Cycloalkene antisepsis drug with antibacterial, antifungal, nonsteroidal antiinflammatory, steroid and/or anticoagulant agents ELANE, MMP8, SERPINC1 TLR4 567/4885ALDH1A1 3244/4885TDP1 2379/4885
US-20060058288-A1 Severe sepsis preventive therapeutic agent TLR1, TLR5, TLR4 TLR4 3/4885ALDH1A1 3216/4885TDP1 3679/4885
US-20150203464-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885ALDH1A1 2141/4885TDP1 342/4885
US-20130046000-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885ALDH1A1 2141/4885TDP1 342/4885
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885ALDH1A1 2141/4885TDP1 342/4885
US-20120077856-A1 PHARMACEUTICAL PRODUCT ATF1, ATF4, TLR8 TLR4 13/4885ALDH1A1 939/4885TDP1 3949/4885
US-20150051256-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885ALDH1A1 2141/4885TDP1 342/4885

“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.