SCHEMBL4814451

SCHEMBL4814451

CCOC(=O)c1coc(-c2c(-c3ccc(F)cc3)noc2C2CCCCN2C(=O)OC(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GRM5 P41594 3/20 0.35
CPT1A P50416 2/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CPT2 P23786 1/20 0.34
SLC26A6 Q9BXS9 1/20 0.33
MAPK1 P28482 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
SCHEMBL4762509 0.87 HDAC6 (0.36) GRM5
SCHEMBL4718956 0.86 HPGD (0.41) MAPTTP53MEN1KMT2ALMNA
SCHEMBL4761316 0.86 NR1H2 (0.44) NR1H2NR1H3MAPTTP53MEN1
SCHEMBL6004480 0.81 MEN1 (0.36) NR1H2NR1H3MAPTTP53MEN1
SCHEMBL4827696 0.78 GRM5 (0.42) GRM5LMNAALDH1A1NPC1RAB9A
SCHEMBL4832486 0.75 CPT1A (0.38) GRM5CPT1A
SCHEMBL4722305 0.74 HDAC4 (0.41) MAPTTP53LMNAALDH1A1
SCHEMBL6005117 0.74 ALDH1A1 (0.40) MEN1KMT2AGRM5LMNAL3MBTL1
SCHEMBL6004177 0.73 NR1H2 (0.44) NR1H2NR1H3MAPTMEN1KMT2A
SCHEMBL4760676 0.72 ENPP2 (0.42) NR1H2NR1H3MAPTTP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 NR1H2 744/4885NR1H3 723/4885MAPT 523/4885

“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.