SCHEMBL4533231

SCHEMBL4533231

CC(C)(C)OC(=O)N(C(=O)[C@H](N)Cc1ccc(OC(C)(C)C)cc1)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 4/20 0.38
CYP17A1 P05093 2/20 0.38
ACACB O00763 2/20 0.37
PTPN1 P18031 1/20 0.36
ABHD6 Q9BV23 2/20 0.33
TPH1 P17752 2/20 0.33
CIT O14578 1/20 0.33
AAK1 Q2M2I8 3/20 0.33
CYP3A4 P08684 2/20 0.32
WNT3A P56704 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL4519177 0.92 GPR142 (0.46) GPR142CYP17A1TPH1CITCYP3A4
SCHEMBL4527459 0.89 GPR142 (0.43) GPR142CYP17A1TPH1
SCHEMBL4514376 0.89 GPR142 (0.43) GPR142CYP17A1TPH1
SCHEMBL4517312 0.89 GPR142 (0.43) GPR142CYP17A1CYP3A4
SCHEMBL4526794 0.88 TPH1 (0.39) GPR142CYP17A1PTPN1TPH1AAK1
SCHEMBL4516262 0.87 MC4R (0.39) GPR142CYP17A1
SCHEMBL4523323 0.86 GPR142 (0.45) GPR142CYP17A1TPH1MMP12MMP13
SCHEMBL4524956 0.82 ROCK1 (0.50) GPR142CYP17A1ABHD6CYP3A4
SCHEMBL4533235 0.81 CYP17A1 (0.39) GPR142CYP17A1ACACBABHD6AAK1
SCHEMBL4525695 0.80 P2RX7 (0.38) CYP17A1AAK1

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 GPR142 3166/4885CYP17A1 3015/4885ACACB 539/4885

“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.