SCHEMBL6005068

SCHEMBL6005068

CC(C)(C)OC(=O)N1CCC(c2ccnn2-c2nc(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)cs2)C(c2ccc(F)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.38
USP30 Q70CQ3 1/20 0.36
POLB P06746 1/20 0.35
RORC P51449 1/20 0.35
JAK2 O60674 2/20 0.34
JAK1 P23458 1/20 0.34
TACR1 P25103 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TACR3 P29371 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
USP7 Q93009 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL4871002 0.87 ENPP2 (0.39) ENPP2USP30POLBJAK2JAK1
SCHEMBL6004607 0.87 ENPP2 (0.38) ENPP2USP30POLBJAK2JAK1
SCHEMBL6004587 0.79 OGA (0.36) TACR1
SCHEMBL6003649 0.77 ENPP2 (0.38) ENPP2USP30JAK2JAK1TACR1
SCHEMBL16827670 0.72 POLB (0.50) POLBLMNAMAPTMEN1KMT2A
SCHEMBL16827770 0.72 POLB (0.50) POLBLMNAMAPTMEN1KMT2A
SCHEMBL6004467 0.71 TP53 (0.43) ENPP2POLBLMNAMAPT
SCHEMBL18255827 0.69 MEN1 (0.49) POLBRORCTACR1HDAC1HDAC2
SCHEMBL6005072 0.68 NR1H2 (0.37) TACR1
SCHEMBL12776251 0.68 RORC (0.49) USP30POLBRORCTACR1TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 ENPP2 266/4885USP30 1591/4885POLB 1356/4885

“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.