SCHEMBL5023362

SCHEMBL5023362

Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
CYP2C9 P11712 1/20 0.46
RXRA P19793 4/20 0.43
RXRB P28702 4/20 0.43
RXRG P48443 4/20 0.43
PLA2G7 Q13093 1/20 0.43
MGLL Q99685 1/20 0.43
ABHD6 Q9BV23 1/20 0.43
KDM2B Q8NHM5 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
GRM5 P41594 1/20 0.41
AKR1B1 P15121 1/20 0.41
FFAR1 O14842 3/20 0.40
ADORA3 P0DMS8 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL4689585 0.88 NR1H4 (0.52) CYP2C9RXRARXRBRXRGKDM4C
SCHEMBL28763212 0.84 LTB4R (0.47) RXRARXRBRXRGPLA2G7MGLL
SCHEMBL2430111 0.83 GCGR (0.47) PLA2G7MGLLABHD6KDM2BKDM4C
SCHEMBL4685144 0.83 TLR8 (0.42) PLA2G7MGLLABHD6KDM2BKDM4C
SCHEMBL5023843 0.81 TLR8 (0.40) PLA2G7MGLLABHD6KDM2BKDM4C
SCHEMBL5904760 0.81 PPARA (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4415569 0.80 RAD51 (0.42) PLA2G7MGLLABHD6
SCHEMBL4678016 0.80 TLR8 (0.42) PLA2G7MGLLABHD6
SCHEMBL5023360 0.80 TLR8 (0.42) PLA2G7MGLLABHD6ADORA3
SCHEMBL10959817 0.79 PHGDH (0.51) KDM2BKDM4CGRM5ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 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-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

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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG PSEN1 2081/4885PSEN2 2679/4885APH1B 1423/4885

“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.