SCHEMBL4532204

SCHEMBL4532204

CC(C)(C)OC(=O)N(C(=O)[C@H](N)Cc1ccccc1)c1ccc(-c2ccnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CIT O14578 2/20 0.42
PAX8 Q06710 1/20 0.38
SLC7A5 Q01650 2/20 0.36
F11 P03951 1/20 0.35
DUSP10 Q9Y6W6 1/20 0.34
PDK1 Q15118 1/20 0.34
ALPI P09923 1/20 0.34
PKM P14618 1/20 0.34
PTGS1 P23219 1/20 0.34
XIAP P98170 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
MC4R P32245 1/20 0.34
MC5R P33032 1/20 0.34
MC3R P41968 1/20 0.34
UGT1A1 P22309 1/20 0.34
TPH1 P17752 5/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
NPR3 P17342 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
SCHEMBL4519488 0.91 MAP4K4 (0.36) CITPAX8CYP3A4CYP2C9CYP2C19
SCHEMBL4530316 0.90 TPH1 (0.39) CITTPH1GPR142
SCHEMBL4529959 0.83 PAX8 (0.37) CITPAX8SLC7A5F11DUSP10
SCHEMBL5961037 0.82 SLC7A5 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL5961039 0.82 SLC7A5 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL27509941 0.82 SLC7A5 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL4528517 0.80 SLC7A5 (0.43) CITSLC7A5ALPIPKMPTGS1
SCHEMBL4514247 0.78 CIT (0.45) CITSLC7A5MC4RMC5RMC3R
SCHEMBL4516346 0.76 SYK (0.36) PAX8DUSP10PKMCYP3A4
SCHEMBL4529962 0.76 HDAC8 (0.52) CYP3A4

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 CIT 7/4885PAX8 3961/4885SLC7A5 3265/4885

“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.