SCHEMBL4965996

SCHEMBL4965996

O=C(CC1(c2ccccc2C(F)(F)F)CCC1)C(=O)Nc1cccc(-c2ccno2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
EPHX2 P34913 1/20 0.36
HDAC4 P56524 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RXFP1 Q9HBX9 2/20 0.34
RORC P51449 2/20 0.34
F2R P25116 1/20 0.33
BDKRB1 P46663 1/20 0.33
MAPT P10636 2/20 0.33
RXFP2 Q8WXD0 1/20 0.33
POLB P06746 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPRA P18433 1/20 0.33
P2RY14 Q15391 1/20 0.33
MEN1 O00255 1/20 0.32
XBP1 P17861 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4969666 0.90 EPHX2 (0.41) EPHX2HDAC4NPC1RAB9ARORC
SCHEMBL14493794 0.86 RHOA (0.43) EPHX2
SCHEMBL4967009 0.81 BDKRB1 (0.31) EPHX2HDAC4BDKRB1
SCHEMBL4967016 0.81 BDKRB1 (0.31) EPHX2HDAC4BDKRB1
SCHEMBL981548 0.76 EPHX2 (0.40) EPHX2HDAC4NPC1RAB9AALDH1A1
SCHEMBL4967217 0.76 IMPDH2 (0.46) EPHX2HDAC4NPC1RAB9AALDH1A1
SCHEMBL986328 0.73 NR3C1 (0.40) EPHX2POLBMEN1KMT2A
SCHEMBL4966906 0.72 EPHX2 (0.33) EPHX2HDAC4BDKRB1POLBMEN1
SCHEMBL4966914 0.72 EPHX2 (0.33) EPHX2HDAC4BDKRB1POLBMEN1
SCHEMBL4966794 0.72 RHOA (0.40) EPHX2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963287-A1 GLUCOCORTICOID RECEPTOR MODULATORS AS ANTIINFLAMMATORY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP claimed
US-7348322-B2 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC (US) 2008-03-25 US claimed
US-20070135427-A1 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC 2007-06-14 US claimed
WO-2007065828-A1 GLUCOCORTICOID RECEPTOR MODULATORS AS ANTIINFLAMMATORY AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 WO claimed
EP-1963287-A1 GLUCOCORTICOID RECEPTOR MODULATORS AS ANTIINFLAMMATORY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP disclosed
US-7348322-B2 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC (US) 2008-03-25 US disclosed
US-7348322-B2 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC (US) 2008-03-25 US disclosed
US-7348322-B2 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC (US) 2008-03-25 US disclosed
US-20070135427-A1 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC 2007-06-14 US 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 (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-20070135427-A1 Glucocorticoid receptor modulators as antiinflammatory agents NR3C1, MC2R, NR3C2 TP53 4566/4885EPHX2 1311/4885HDAC4 1263/4885

“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.