SCHEMBL872667

SCHEMBL872667

CC(C)(C)C(OC(=O)C1=CCCCC1S(=O)(=O)Nc1ccc(F)cc1F)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.56
TP53 P04637 1/20 0.36
ACLY P53396 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.34
MRGPRX1 Q96LB2 2/20 0.34
TSPO P30536 1/20 0.34
GAA P10253 1/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL872669 0.87 TLR4 (0.54) TLR4TP53ACLYSMN1; SMN2NPC1
SCHEMBL871909 0.87 TLR4 (0.61) TLR4TP53ACLYSMN1; SMN2NPC1
SCHEMBL871825 0.84 TLR4 (0.66) TLR4TP53ACLYSMN1; SMN2NPC1
SCHEMBL28159349 0.81 TLR4 (0.58) TLR4TP53ACLYSMN1; SMN2NPC1
SCHEMBL872918 0.81 TLR4 (0.58) TLR4TP53ACLYSMN1; SMN2NPC1
SCHEMBL1824250 0.81 TLR4 (0.82) TLR4TP53MRGPRX1TSPO
SCHEMBL871429 0.81 TLR4 (0.67) TLR4TP53SMN1; SMN2NPC1POLB
SCHEMBL872123 0.81 TLR4 (0.82) TLR4TP53MRGPRX1TSPO
SCHEMBL871881 0.80 TLR4 (0.66) TLR4TP53SMN1; SMN2MRGPRX1TSPO
SCHEMBL871637 0.79 TLR4 (0.70) TLR4TP53SMN1; SMN2MRGPRX1TSPO

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20110184034-A1 Severe sepsis preventive therapeutic agent TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-28 US disclosed
US-7960416-B2 Oil-in-water emulsion of a 1-carboxylate-6-arylsulfamoyl cyclohexene and synthetic and naturally occurring phospholipids; nitric oxide or cytokine prodution inhibitors; cardiovascular disorders, autoimmune dieseases, septic shock; improved stability during autoclave sterilization TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20040063685-A1 Cycloalkene antisepsis drug with antibacterial, antifungal, nonsteroidal antiinflammatory, steroid and/or anticoagulant agents ELANE, MMP8, SERPINC1 TLR4 567/4885TP53 4638/4885ACLY 2028/4885
US-20150203464-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885TP53 791/4885ACLY 1904/4885
US-20110184034-A1 Severe sepsis preventive therapeutic agent TLR1, TLR5, TLR4 TLR4 3/4885TP53 3442/4885ACLY 3874/4885
US-20120077856-A1 PHARMACEUTICAL PRODUCT ATF1, ATF4, TLR8 TLR4 13/4885TP53 2716/4885ACLY 2316/4885

“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.