SCHEMBL4685144

SCHEMBL4685144

Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.42
PTGS2 P35354 1/20 0.39
CYP11B1 P15538 3/20 0.39
F2RL3 Q96RI0 1/20 0.39
HSD11B1 P28845 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
RAD51 Q06609 1/20 0.39
PLA2G7 Q13093 1/20 0.38
MGLL Q99685 1/20 0.38
ABHD6 Q9BV23 1/20 0.38
CYP11B2 P19099 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
TRPV3 Q8NET8 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 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
SCHEMBL5023843 0.88 TLR8 (0.40) TLR8PTGS2CYP11B1HSD11B1SIGMAR1
SCHEMBL5023343 0.86 TLR8 (0.43) TLR8PTGS2CYP11B1HSD11B1SIGMAR1
SCHEMBL4678016 0.85 TLR8 (0.42) TLR8PTGS2CYP11B1F2RL3HSD11B1
SCHEMBL4415569 0.85 RAD51 (0.42) TLR8PTGS2CYP11B1F2RL3HSD11B1
SCHEMBL5023360 0.85 TLR8 (0.42) TLR8PTGS2CYP11B1F2RL3HSD11B1
SCHEMBL5023362 0.83 PSEN1 (0.47) PLA2G7MGLLABHD6ADORA3KDM2B
SCHEMBL4682811 0.83 TLR8 (0.41) TLR8PTGS2RAD51ADORA3TRPV3
SCHEMBL5016834 0.82 CTSS (0.39) TLR8PTGS2F2RL3RAD51ADORA3
SCHEMBL508428 0.81 MAPT (0.45) F2RL3ADORA3TRPV3KDM2BKDM4C
SCHEMBL4089672 0.81 TRPV3 (0.43) PTGS2RAD51TRPV3CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
CN-100467463-C Pyrazolylindolyl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2009-03-11 CN disclosed
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 US disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 US disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
CN-1930150-A Pyrazolyl indolyl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2007-03-14 CN disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
US-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators SMITHKLINE BEECHAM CORPORATION 2005-10-06 US disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 US disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
EP-1513796-A2 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 EP disclosed
WO-2004000785-A2 PHENYLOXYALKANONIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-31 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 (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-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS GPR119, GPR55, GPR65 TLR8 727/4885PTGS2 529/4885CYP11B1 128/4885
US-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators CEL, HPN, LIPA TLR8 1797/4885PTGS2 665/4885CYP11B1 975/4885
US-20080090840-A1 Heterocyclic GPR40 Modulators GPR119, GPR55, GPR65 TLR8 727/4885PTGS2 529/4885CYP11B1 128/4885
US-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG TLR8 828/4885PTGS2 1571/4885CYP11B1 46/4885

“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.