SCHEMBL871856

SCHEMBL871856

CCOC(=O)C1=CCOCC1S(=O)(=O)Nc1ccc(F)cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.74
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.40
MRGPRX1 Q96LB2 4/20 0.39
NPSR1 Q6W5P4 1/20 0.37
TSPO P30536 1/20 0.37
HRH1 P35367 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
SCHEMBL2238499 1.00 TLR4 (0.74) TLR4LMNAKMT2AMRGPRX1NPSR1
SCHEMBL2234657 1.00 TLR4 (0.74) TLR4LMNAKMT2AMRGPRX1NPSR1
SCHEMBL872792 0.90 TLR4 (0.60) TLR4LMNAMRGPRX1TSPOHRH1
SCHEMBL871685 0.85 TLR4 (1.00) TLR4LMNAKMT2AMRGPRX1NPSR1
SCHEMBL2235300 0.85 TLR4 (0.52) TLR4LMNAKMT2AMRGPRX1NPSR1
SCHEMBL14108316 0.85 TLR4 (0.52) TLR4LMNAKMT2AMRGPRX1NPSR1
SCHEMBL2236172 0.85 TLR4 (0.52) TLR4LMNAKMT2AMRGPRX1NPSR1
Resatorvid SCHEMBL13944462 0.84 TLR4 (0.73) TLR4LMNAKMT2AMRGPRX1NPSR1
Resatorvid SCHEMBL13944475 0.84 TLR4 (0.73) TLR4LMNAKMT2AMRGPRX1NPSR1
Resatorvid SCHEMBL13944467 0.84 TLR4 (0.79) TLR4LMNAKMT2AMRGPRX1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077856-A1 PHARMACEUTICAL PRODUCT TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-03-29 US claimed
EP-1209149-B9 SUBSTITUTED AROMATIC-RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME, AND USE TAKEDA PHARMACEUTICAL (JP) 2011-08-31 EP claimed
US-20110184034-A1 Severe sepsis preventive therapeutic agent TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-28 US claimed
EP-1209149-B1 SUBSTITUTED AROMATIC-RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME, AND USE TAKEDA PHARMACEUTICAL (JP) 2010-09-29 EP claimed
US-7078540-B1 Substituted aromatic-ring compounds, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-18 US claimed
EP-1209149-A1 SUBSTITUTED AROMATIC-RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2002-05-29 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-2528598-B1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI - CANCER AGENT TAKEDA PHARMACEUTICAL (JP) 2016-01-13 EP 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
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 (10 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 129/4885LMNA 2300/4885KMT2A 841/4885
US-20130345304-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885LMNA 3633/4885KMT2A 3281/4885
US-20040063685-A1 Cycloalkene antisepsis drug with antibacterial, antifungal, nonsteroidal antiinflammatory, steroid and/or anticoagulant agents ELANE, MMP8, SERPINC1 TLR4 567/4885LMNA 3710/4885KMT2A 4510/4885
US-20060058288-A1 Severe sepsis preventive therapeutic agent TLR1, TLR5, TLR4 TLR4 3/4885LMNA 3787/4885KMT2A 3464/4885
US-20150203464-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885LMNA 3633/4885KMT2A 3281/4885
US-20130046000-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885LMNA 3633/4885KMT2A 3281/4885
US-20110184034-A1 Severe sepsis preventive therapeutic agent TLR1, TLR5, TLR4 TLR4 3/4885LMNA 3882/4885KMT2A 3655/4885
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885LMNA 3633/4885KMT2A 3281/4885
US-20120077856-A1 PHARMACEUTICAL PRODUCT ATF1, ATF4, TLR8 TLR4 13/4885LMNA 4365/4885KMT2A 1646/4885
US-20150051256-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885LMNA 3633/4885KMT2A 3281/4885

“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.