SCHEMBL4528517

SCHEMBL4528517

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.43
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
CTSS P25774 3/20 0.39
CTSK P43235 2/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.37
SLC15A1 P46059 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CIT O14578 1/20 0.36
AKT1 P31749 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 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
SCHEMBL5961039 0.92 SLC7A5 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL27509941 0.92 SLC7A5 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL5961037 0.92 SLC7A5 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL5475568 0.80 SLC7A5 (0.41) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL4532204 0.80 CIT (0.42) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL14763045 0.79 SLC7A5 (0.49) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7286634 0.79 SLC7A5 (0.49) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL4514247 0.78 CIT (0.45) SLC7A5CIT
SCHEMBL4528518 0.78 CTSS (0.39) SLC7A5CTSSCTSKMEN1NPC1
SCHEMBL2722202 0.77 SLC7A5 (0.50) SLC7A5ALPIPKMPTGS1XIAP

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 SLC7A5 3265/4885ALPI 2168/4885PKM 1937/4885

“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.