SCHEMBL5022595

SCHEMBL5022595

Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TLR8 Q9NR97 1/20 0.37
PTGS2 P35354 2/20 0.35
CYP11B1 P15538 3/20 0.34
F2RL3 Q96RI0 1/20 0.34
HSD11B1 P28845 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
RAD51 Q06609 1/20 0.34
PLA2G7 Q13093 1/20 0.34
MGLL Q99685 1/20 0.34
ABHD6 Q9BV23 1/20 0.34
IDO1 P14902 1/20 0.34
AGXT P21549 1/20 0.34
CYP11B2 P19099 2/20 0.33
AGER Q15109 1/20 0.33
TACR1 P25103 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
LMNA P02545 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
SCHEMBL4415569 0.77 RAD51 (0.42) TLR8PTGS2CYP11B1F2RL3HSD11B1
SCHEMBL4685144 0.77 TLR8 (0.42) ALDH1A1TLR8PTGS2CYP11B1F2RL3
SCHEMBL5023360 0.77 TLR8 (0.42) TLR8PTGS2CYP11B1F2RL3HSD11B1
SCHEMBL4678016 0.77 TLR8 (0.42) TLR8PTGS2CYP11B1F2RL3HSD11B1
SCHEMBL5023843 0.75 TLR8 (0.40) TLR8PTGS2CYP11B1HSD11B1SIGMAR1
SCHEMBL5022731 0.74 SIGMAR1 (0.36) ALDH1A1SIGMAR1LMNA
SCHEMBL5023323 0.74 CTSS (0.43) ALDH1A1TLR8PTGS2CYP11B1F2RL3
SCHEMBL28553597 0.73 PTGS2 (0.36) ALDH1A1L3MBTL1TLR8PTGS2CYP11B1
SCHEMBL5016811 0.73 PTPN1 (0.34) ALDH1A1L3MBTL1SIGMAR1LMNA
SCHEMBL5023343 0.73 TLR8 (0.43) TLR8PTGS2CYP11B1HSD11B1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 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 (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 ALDH1A1 799/4885L3MBTL1 3469/4885TLR8 828/4885

“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.