SCHEMBL4512482

SCHEMBL4512482

CC(C)(C)OC(=O)N(C(=O)[C@H](N)Cc1ccccc1F)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
KCNA5 P22460 1/20 0.37
DPP4 P27487 5/20 0.36
DPP8 Q6V1X1 2/20 0.35
FAP Q12884 1/20 0.34
DPP9 Q86TI2 1/20 0.34
AAK1 Q2M2I8 3/20 0.34
CYP17A1 P05093 2/20 0.34
HDAC4 P56524 1/20 0.34
ROCK1 Q13464 2/20 0.33
PAX8 Q06710 1/20 0.33
PRKACA P17612 1/20 0.33
BTK Q06187 1/20 0.33
GPR88 Q9GZN0 2/20 0.33
SCN9A Q15858 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
SCHEMBL4525695 0.88 P2RX7 (0.38) AAK1CYP17A1ROCK1PAX8GPR88
SCHEMBL4527459 0.85 GPR142 (0.43) CTSSCTSKDPP4CYP17A1ROCK1
SCHEMBL4514376 0.85 GPR142 (0.43) CTSSCTSKDPP4CYP17A1ROCK1
SCHEMBL4524956 0.83 ROCK1 (0.50) CTSSCTSKDPP4DPP8DPP9
SCHEMBL4531525 0.83 KDM4E (0.47) CTSSCTSKROCK1PRKACASCN9A
SCHEMBL4526794 0.82 TPH1 (0.39) DPP4DPP8FAPDPP9AAK1
SCHEMBL4512483 0.81 CTSS (0.38) CTSSCTSKDPP4DPP8AAK1
SCHEMBL4517312 0.81 GPR142 (0.43) CYP17A1ROCK1PRKACA
SCHEMBL4514247 0.80 CIT (0.45) ROCK1PRKACA
SCHEMBL4533231 0.80 GPR142 (0.38) AAK1CYP17A1

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 CTSS 2190/4885CTSK 1797/4885KCNA5 4545/4885

“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.