SCHEMBL872380

SCHEMBL872380

CCOC(=O)C1=CCCCC1S(=O)(=O)Cc1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.48
ALDH1A1 P00352 5/20 0.40
HTT P42858 3/20 0.40
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
CCR6 P51684 1/20 0.40
KMT2A Q03164 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 3/20 0.39
GLA P06280 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FKBP1A P62942 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK8 P45983 1/20 0.38

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
SCHEMBL871622 0.87 TLR4 (0.50) TLR4ALDH1A1HPGDMEN1MAPT
SCHEMBL27707118 0.86 TAS2R14 (0.43) ALDH1A1HPGDMAPTGAAFKBP1A
SCHEMBL10178083 0.82 TLR4 (0.55) TLR4ALDH1A1HTTLMNAGAA
SCHEMBL16491621 0.77 TLR4 (0.57) TLR4ALDH1A1HTTLMNAHPGD
SCHEMBL872175 0.76 ALDH1A1 (0.40) TLR4ALDH1A1HTTKDM4ETDP1
SCHEMBL872382 0.75 TLR4 (0.60) TLR4ALDH1A1TDP1GAA
SCHEMBL871297 0.74 TLR4 (0.68) TLR4HTTMEN1MAPTKMT2A
SCHEMBL1860668 0.71 TLR4 (0.58) TLR4ALDH1A1HTTKDM4ELMNA
SCHEMBL872429 0.71 TLR4 (0.60) TLR4ALDH1A1HTTKDM4EHPGD
SCHEMBL871427 0.70 TLR4 (0.62) TLR4ALDH1A1HPGDMAPTKMT2A

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 740/4885HTT 3283/4885
US-20130345304-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885ALDH1A1 2141/4885HTT 1536/4885
US-20040063685-A1 Cycloalkene antisepsis drug with antibacterial, antifungal, nonsteroidal antiinflammatory, steroid and/or anticoagulant agents ELANE, MMP8, SERPINC1 TLR4 567/4885ALDH1A1 3244/4885HTT 4475/4885
US-20060058288-A1 Severe sepsis preventive therapeutic agent TLR1, TLR5, TLR4 TLR4 3/4885ALDH1A1 3216/4885HTT 4881/4885
US-20150203464-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885ALDH1A1 2141/4885HTT 1536/4885
US-20130046000-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885ALDH1A1 2141/4885HTT 1536/4885
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885ALDH1A1 2141/4885HTT 1536/4885
US-20120077856-A1 PHARMACEUTICAL PRODUCT ATF1, ATF4, TLR8 TLR4 13/4885ALDH1A1 939/4885HTT 4798/4885
US-20150051256-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885ALDH1A1 2141/4885HTT 1536/4885

“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.