SCHEMBL872462

SCHEMBL872462

CCOC(=O)C1=CCCCC1SCc1ccc(F)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.56
P2RX7 Q99572 3/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL878254 0.90 TLR4 (0.48) TLR4TP53ALDH1A1TDP1
SCHEMBL28773950 0.85 TLR4 (0.40) TLR4P2RX7MAPTTP53ALDH1A1
SCHEMBL21218154 0.84 TLR4 (0.44) TLR4P2RX7MAPTTP53LMNA
SCHEMBL28531536 0.84 TLR4 (0.44) TLR4P2RX7MAPTTP53LMNA
SCHEMBL19797161 0.83 TLR4 (0.43) TLR4P2RX7MAPTTP53LMNA
SCHEMBL19970477 0.82 TLR4 (0.43) TLR4P2RX7MAPTTP53LMNA
SCHEMBL19797164 0.81 TLR4 (0.42) TLR4P2RX7MAPTTP53LMNA
SCHEMBL19982560 0.79 TLR4 (0.41) TLR4P2RX7MAPTTP53LMNA
SCHEMBL19982519 0.79 TLR4 (0.41) TLR4P2RX7MAPTTP53LMNA
SCHEMBL19982521 0.79 TLR4 (0.41) TLR4P2RX7MAPTTP53LMNA

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 21 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 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
US-20110184034-A1 Severe sepsis preventive therapeutic agent TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-28 US disclosed
EP-2260869-A2 Pharmaceutical product Takeda Pharmaceutical Company Limited (JP) 2010-12-15 EP disclosed
EP-2255785-A2 Stable emulsion composition Takeda Pharmaceutical Company Limited (JP) 2010-12-01 EP disclosed
EP-1209149-B1 SUBSTITUTED AROMATIC-RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME, AND USE TAKEDA PHARMACEUTICAL (JP) 2010-09-29 EP disclosed
US-20100016381-A1 STABLE EMULSION COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
US-20090105314-A1 Pharmaceutical Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-04-23 US disclosed
US-20090062355-A1 Pharmaceutical Product TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-03-05 US 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 (8 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 129/4885P2RX7 3442/4885MAPT 3676/4885
US-20040063685-A1 Cycloalkene antisepsis drug with antibacterial, antifungal, nonsteroidal antiinflammatory, steroid and/or anticoagulant agents ELANE, MMP8, SERPINC1 TLR4 567/4885P2RX7 1533/4885MAPT 4685/4885
US-20090105314-A1 Pharmaceutical Agent TLR1, TLR6, TPMT TLR4 8/4885P2RX7 779/4885MAPT 4175/4885
US-20090062355-A1 Pharmaceutical Product ATF1, ATF4, TLR8 TLR4 13/4885P2RX7 302/4885MAPT 2911/4885
US-20060058288-A1 Severe sepsis preventive therapeutic agent TLR1, TLR5, TLR4 TLR4 3/4885P2RX7 659/4885MAPT 4728/4885
US-20110184034-A1 Severe sepsis preventive therapeutic agent TLR1, TLR5, TLR4 TLR4 3/4885P2RX7 627/4885MAPT 4726/4885
US-20120077856-A1 PHARMACEUTICAL PRODUCT ATF1, ATF4, TLR8 TLR4 13/4885P2RX7 302/4885MAPT 2911/4885
US-20100016381-A1 STABLE EMULSION COMPOSITION LIPA, PHOSPHO1, CEL TLR4 3789/4885P2RX7 1610/4885MAPT 1037/4885

“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.