SCHEMBL4969796

SCHEMBL4969796

CCON=C(CC1(c2ccccc2C(F)(F)F)CCC1)C(=O)Nc1ccc(-c2cnco2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 7/20 0.42
IMPDH1 P20839 3/20 0.42
PORCN Q9H237 1/20 0.40
EPHX2 P34913 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 3/20 0.39
PKM P14618 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AAK1 Q2M2I8 1/20 0.36
JAK3 P52333 1/20 0.35
NAMPT P43490 1/20 0.35
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.34
PDK2 Q15119 1/20 0.33
PTK2 Q05397 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
SCHEMBL4969789 1.00 IMPDH2 (0.42) IMPDH2IMPDH1PORCNEPHX2NPC1
SCHEMBL4967217 0.85 IMPDH2 (0.46) IMPDH2IMPDH1PORCNEPHX2NPC1
SCHEMBL4966287 0.79 NPC1 (0.41) IMPDH2IMPDH1PORCNEPHX2NPC1
SCHEMBL14493794 0.77 RHOA (0.43) IMPDH2IMPDH1PORCNEPHX2NAMPT
SCHEMBL4966757 0.76 PDK2 (0.37) IMPDH2IMPDH1PORCNEPHX2NPC1
SCHEMBL14263248 0.76 PDK2 (0.37) IMPDH2IMPDH1PORCNEPHX2NPC1
SCHEMBL4967035 0.76 PDK2 (0.37) IMPDH2IMPDH1PORCNEPHX2NPC1
SCHEMBL4966794 0.72 RHOA (0.40) IMPDH2PORCNEPHX2PDK2
SCHEMBL4969666 0.72 EPHX2 (0.41) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL15047775 0.71 RHOA (0.40) IMPDH2IMPDH1PORCNPDK2

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 4 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

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 IMPDH2 3249/4885IMPDH1 2494/4885PORCN 4544/4885

“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.