SCHEMBL4628515

SCHEMBL4628515

CC(C)(CC(O)(CNc1cccc2[nH]ncc12)C(F)(F)F)c1cccc2c1OCO2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.45
PGR P06401 3/20 0.45
TRPV1 Q8NER1 8/20 0.41
NR3C2 P08235 1/20 0.37
AXL P30530 1/20 0.37
TDO2 P48775 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL6406146 0.90 NR3C1 (0.39) NR3C1PGRTRPV1NR3C2TDO2
SCHEMBL4735535 0.86 NR3C1 (0.53) NR3C1PGRTRPV1NR3C2
SCHEMBL4628784 0.85 NR3C1 (0.54) NR3C1PGRTRPV1NR3C2
SCHEMBL5796840 0.82 NR3C1 (0.55) NR3C1PGRTRPV1NR3C2AXL
SCHEMBL6403528 0.81 NR3C1 (0.63) NR3C1PGRTRPV1AXLHDAC1
SCHEMBL4824963 0.81 NR3C1 (0.62) NR3C1PGRTRPV1NR3C2
SCHEMBL5777416 0.80 NR3C1 (0.55) NR3C1PGRNR3C2
SCHEMBL6405434 0.80 NR3C1 (0.52) NR3C1PGRTRPV1AXL
SCHEMBL6403409 0.78 NR3C1 (0.50) NR3C1PGRTRPV1NR3C2AXL
SCHEMBL4629925 0.78 NR3C1 (0.53) NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188666-A1 LINEAR PHENYL-SUBSTITUTED INDAZOLES AND INDOLES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRAZENECA AB (SE) 2008-08-07 US disclosed
WO-2008055710-A1 INDOLE AND INDAZOLE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2008-05-15 WO disclosed
WO-2008055709-A1 INDAZOLE AND INDOLE DERIVATIVES AS ANTI -INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-15 WO disclosed
EP-1921067-A1 Indole and indazole derivatives as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-05-14 EP disclosed
EP-1921068-A1 Indazole and indole derivatives as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-05-14 EP disclosed
EP-1638945-A1 HETEROCYCLICALLY SUBSTITUTED PENTANOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2006-03-29 EP disclosed
US-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2005-04-28 US disclosed
WO-2005003098-A1 HETEROCYCLICALLY SUBSTITUTED PENTANOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-13 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 (2 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-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents IL1B, NFKBIA, BBOX1 NR3C1 1483/4885PGR 3289/4885TRPV1 743/4885
US-20080188666-A1 LINEAR PHENYL-SUBSTITUTED INDAZOLES AND INDOLES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS IDO1, IL1B, IDO2 NR3C1 1243/4885PGR 1611/4885TRPV1 910/4885

“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.