Sugi Predict

Sugi Predict / Compounds / SCHEMBL4638852

SCHEMBL4638852

SCHEMBL4638852

CN(C(=O)OC(C)(C)C)c1cccc(CC(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.39
▸ HTR2C P28335 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ BRD4 O60885 2/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ CACNA1G O43497 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ GLS O94925 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 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
SCHEMBL15728141 0.88 PDE5A (0.34) PAX8HTR2CSLC6A4PDE5ACACNA1G
SCHEMBL14182011 0.86 PAX8 (0.40) PAX8HTR2CSLC6A4BRD4CKS1B
SCHEMBL23131099 0.86 PAX8 (0.40) PAX8HTR2CSLC6A4BRD4CKS1B
SCHEMBL14270683 0.85 PAX8 (0.39) PAX8HTR2CSLC6A4BRD4CKS1B
SCHEMBL852663 0.85 KMT2A (0.42) PAX8KDM4EALDH1A1HSD17B10MEN1
SCHEMBL852583 0.84 PAX8 (0.39) PAX8HTR2CSLC6A4BRD4CKS1B
SCHEMBL12705243 0.83 ACHE (0.39) PAX8HTR2CSLC6A4BRD4CKS1B
SCHEMBL8038094 0.82 PAX8 (0.37) PAX8HTR2CSLC6A4BRD4CKS1B
SCHEMBL4919601 0.82 PAX8 (0.37) PAX8HTR2CSLC6A4BRD4CKS1B
SCHEMBL14270690 0.81 CYP4F2 (0.39) PAX8HTR2CSLC6A4BRD4GLS

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628949-A4 PROCESS AND INTERMEDIATES FOR PREPARING BENZAZEPINES SMITHKLINE BEECHAM CORP (US) 2008-07-02 — — EP disclosed
US-7368566-B2 Process and intermediates for preparing benzazepines SMITHKLINE BEECHAM CORPORATION (US) 2008-05-06 — — US disclosed
US-20060194786-A1 Process and intermediates for preparing benzazepines SMITHKLINE BEECHAM CORPORATION 2006-08-31 — — US disclosed
EP-1628949-A2 PROCESS AND INTERMEDIATES FOR PREPARING BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 2006-03-01 — — EP disclosed
WO-2004089890-A2 PROCESS AND INTERMEDIATES FOR PREPARING BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 2004-10-21 — — WO disclosed
CN-1114403-C Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2003-07-16 — — CN disclosed
CN-1238689-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-12-15 — — CN 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-20060194786-A1 Process and intermediates for preparing benzazepines CYP2E1, CYP1B1, CYP3A4 PAX8 4503/4885HTR2C 129/4885SLC6A4 1022/4885

“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.