SCHEMBL4528518

SCHEMBL4528518

CC(C)(C)OC(=O)N(c1ccc(Br)cc1)[C@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.39
CTSK P43235 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SLC7A5 Q01650 1/20 0.39
ATM Q13315 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
HSP90AA1 P07900 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
AKT1 P31749 1/20 0.37
EPHX1 P07099 2/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
REN P00797 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL7066901 0.82 SLC7A5 (0.43) CTSSCTSKSLC7A5ATMITGA4
SCHEMBL18301525 0.82 SLC7A5 (0.43) CTSSCTSKSLC7A5ATMITGA4
SCHEMBL5475571 0.81 SLC7A5 (0.37) CTSSCTSKSLC7A5NPSR1CTSB
SCHEMBL6318226 0.80 REN (0.45) CTSSCTSKSLC7A5ATMITGA4
SCHEMBL11358027 0.80 REN (0.45) CTSSCTSKSLC7A5ATMITGA4
SCHEMBL27909457 0.80 ATM (0.42) CTSSCTSKSLC7A5ATMITGA4
SCHEMBL4529959 0.79 PAX8 (0.37) SLC7A5ITGA4ITGB7
SCHEMBL4514249 0.79 ROCK2 (0.37)
SCHEMBL2945259 0.79 SMN1; SMN2 (0.39) KMT2AMEN1SLC7A5AAK1L3MBTL1
SCHEMBL2722201 0.78 CTRB1 (0.43) KMT2AMEN1NPC1RAB9ASLC7A5

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
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
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA CTSS 2190/4885CTSK 1797/4885KMT2A 735/4885

“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.