SCHEMBL4525858

SCHEMBL4525858

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc(-c2ccc(NC(=O)[C@@H](Cc3ccccc3)N3CCOCC3)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.41
JAK3 P52333 6/20 0.41
MOK Q9UQ07 4/20 0.40
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
JAK1 P23458 3/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TYK2 P29597 1/20 0.36

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
SCHEMBL4530249 0.82 JAK2 (0.48) JAK2JAK3MOKALDH1A1TSHR
SCHEMBL4529962 0.80 HDAC8 (0.52)
SCHEMBL4631827 0.78 JAK2 (0.42) JAK2JAK3MOKPPARGPPARA
SCHEMBL4537056 0.76 ROCK2 (0.51) ALDH1A1TSHRMAPK1NPSR1
SCHEMBL4522473 0.76 ROCK2 (0.51) ALDH1A1TSHRMAPK1NPSR1
SCHEMBL14338279 0.75 JAK2 (0.56) JAK2JAK3JAK1TYK2
SCHEMBL14338306 0.74 JAK2 (0.69) JAK2JAK3JAK1TYK2
SCHEMBL4525873 0.74 ALDH1A1 (0.37) MOKPPARGPPARAALDH1A1TSHR
SCHEMBL4374376 0.72 JAK2 (0.61) JAK2JAK3JAK1TYK2
SCHEMBL4374373 0.72 JAK2 (0.61) JAK2JAK3JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA JAK2 573/4885JAK3 345/4885MOK 855/4885

“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.