SCHEMBL6806830

SCHEMBL6806830

CCc1cc(-c2ccsc2)c(OCc2ccccc2)cc1OCCCCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.41
NR1H4 Q96RI1 2/20 0.41
PTGER1 P34995 3/20 0.41
PPARG P37231 2/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
MCTS1 Q9ULC4 1/20 0.36
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
CYP19A1 P11511 2/20 0.35
HTR1A P08908 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
LTB4R Q15722 2/20 0.35
LTB4R2 Q9NPC1 2/20 0.35
CD274 Q9NZQ7 1/20 0.35
MAPK14 Q16539 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
SCHEMBL6899767 0.87 NR1H4 (0.46) NR1H4PTGER1HTR1AADRA1DADRA1A
SCHEMBL6902570 0.82 LTB4R (0.52) NR1H4LTB4RLTB4R2
SCHEMBL6806859 0.78 LTB4R (0.47) LTB4RLTB4R2
SCHEMBL8581492 0.78 HTR1A (0.51) NR1H4HTR1AADRA1DADRA1AADRA1B
SCHEMBL8585279 0.77 NR1H4 (0.47) NR1H4HTR1AADRA1DADRA1AADRA1B
SCHEMBL6807773 0.77 NR1H4 (0.47) NR1H4HTR1AADRA1DADRA1AADRA1B
SCHEMBL7615372 0.76 SLC6A9 (0.39) SLC6A9PTGER1ADRA1DADRA1AADRA1B
SCHEMBL8582404 0.76 NR1H4 (0.46) NR1H4HTR1AADRA1DADRA1AADRA1B
SCHEMBL6807260 0.74 NR1H4 (0.60) NR1H4LTB4RLTB4R2
SCHEMBL6899274 0.73 NR1H4 (0.48) NR1H4HTR1AADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198779-A1 Heterocycle substituted diphenyl leukotriene antagonists SAWYER JASON SCOTT (US) 2004-10-07 US disclosed
US-6797723-B1 Heterocycle substituted diphenyl leukotriene antagonists ELI LILLY AND COMPANY 2004-09-28 US disclosed
CN-1387518-A Heterocyclic substituted diphenyl leukotriene antagonists LILLY CO ELI (US) 2002-12-25 CN disclosed
EP-1263743-A1 HETEROCYCLE SUBSTITUTED DIPHENYL LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-12-11 EP disclosed
EP-1231939-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2002-08-21 EP disclosed
EP-1231938-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2002-08-21 EP disclosed
WO-2001034197-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed
WO-2001034198-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed
WO-2001034137-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed
WO-2001034580-A1 HETEROCYCLE SUBSTITUTED DIPHENYL LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed
WO-2001034135-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO 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 (1 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-20040198779-A1 Heterocycle substituted diphenyl leukotriene antagonists LTB4R, LTB4R2, LTA4H SLC6A9 4588/4885NR1H4 233/4885PTGER1 14/4885

“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.