SCHEMBL984225

SCHEMBL984225

O=C(O)C(=O)CC1(c2ccccc2C(F)(F)F)CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.49
EPHX2 P34913 1/20 0.43
ORAI1 Q96D31 1/20 0.39
HSD11B1 P28845 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
ATM Q13315 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.35
RBP4 P02753 1/20 0.35
PDE7A Q13946 1/20 0.35
LMNA P02545 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
SCHEMBL14263259 0.87 ORAI1 (0.46) HDAC4EPHX2ORAI1HSD11B1HDAC3
SCHEMBL4966786 0.84 HDAC4 (0.50) HDAC4EPHX2ORAI1HSD11B1HDAC3
SCHEMBL5079254 0.82 HDAC4 (0.39) HDAC4EPHX2ORAI1KDM4ENPSR1
SCHEMBL4968721 0.82 HDAC4 (0.48) HDAC4EPHX2ORAI1HSD11B1HDAC3
SCHEMBL19469572 0.75 HDAC4 (0.65) HDAC4EPHX2ORAI1HSD11B1HDAC3
SCHEMBL6554492 0.75 LMNA (0.49) HSD11B1KDM4ENPSR1MEN1KMT2A
SCHEMBL27907596 0.73 HDAC4 (0.67) HDAC4EPHX2ORAI1HSD11B1HDAC3
SCHEMBL10208797 0.72 SLC6A3 (0.53) HDAC4HSD11B1PDE7A
SCHEMBL4969666 0.72 EPHX2 (0.41) HDAC4EPHX2NPSR1MEN1KMT2A
SCHEMBL6585284 0.72 DPP4 (0.53) HSD11B1KDM4ENPSR1MEN1KMT2A

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
EP-1960351-B1 PROPIONAMIDE COMPOUNDS AS ANTIINFLAMMATORY AGENTS HOFFMANN LA ROCHE (CH) 2013-06-19 EP disclosed
EP-1960351-B1 PROPIONAMIDE COMPOUNDS AS ANTIINFLAMMATORY AGENTS HOFFMANN LA ROCHE (CH) 2013-06-19 EP disclosed
CN-101326155-B Propionamide compounds as antiinflammatory agents HOFFMANN LA ROCHE 2012-06-20 CN disclosed
CN-101326169-B Glucocorticoid receptor modulators as antiinflammatory agents HOFFMANN LA ROCHE 2011-11-16 CN disclosed
US-7868031-B2 Propionamide compounds as antiinflammatory agents ROCHE PALO ALTO LLC (US) 2011-01-11 US disclosed
US-7868031-B2 Propionamide compounds as antiinflammatory agents ROCHE PALO ALTO LLC (US) 2011-01-11 US disclosed
US-7868031-B2 Propionamide compounds as antiinflammatory agents ROCHE PALO ALTO LLC (US) 2011-01-11 US disclosed
CN-101326155-A Propionamide compounds as antiinflammatory agents HOFFMANN LA ROCHE (CH) 2008-12-17 CN disclosed
CN-101326169-A Glucocorticoid receptor modulators as antiinflammatory agents HOFFMANN LA ROCHE (CH) 2008-12-17 CN disclosed
EP-1963287-A1 GLUCOCORTICOID RECEPTOR MODULATORS AS ANTIINFLAMMATORY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP disclosed
US-20070135500-A1 Propionamide compounds as antiinflammatory agents ROCHE PALO ALTO LLC 2007-06-14 US disclosed
US-20070135500-A1 Propionamide compounds as antiinflammatory agents ROCHE PALO ALTO LLC 2007-06-14 US disclosed
US-20070135500-A1 Propionamide compounds as antiinflammatory agents ROCHE PALO ALTO LLC 2007-06-14 US disclosed
US-20070135427-A1 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC 2007-06-14 US disclosed
US-20070135427-A1 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC 2007-06-14 US disclosed
US-20070135427-A1 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC 2007-06-14 US disclosed
WO-2007065821-A1 PROPIONAMIDE COMPOUNDS AS ANTIINFLAMMATORY AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 WO disclosed
WO-2007065821-A1 PROPIONAMIDE COMPOUNDS AS ANTIINFLAMMATORY AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 WO disclosed
WO-2007065828-A1 GLUCOCORTICOID RECEPTOR MODULATORS AS ANTIINFLAMMATORY AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 WO disclosed
WO-2007065828-A1 GLUCOCORTICOID RECEPTOR MODULATORS AS ANTIINFLAMMATORY AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 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-20070135500-A1 Propionamide compounds as antiinflammatory agents PTGS1, PTGER1, PTGES3 HDAC4 1566/4885EPHX2 625/4885ORAI1 1180/4885
US-20070135427-A1 Glucocorticoid receptor modulators as antiinflammatory agents NR3C1, MC2R, NR3C2 HDAC4 1263/4885EPHX2 1311/4885ORAI1 3379/4885

“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.