SCHEMBL5860435

SCHEMBL5860435

CC(C)(C)OC(=O)OC(=O)[C@H](N)COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.49
SLC1A1 P43005 1/20 0.49
CTSS P25774 1/20 0.46
PPARG P37231 1/20 0.45
LTA4H P09960 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41
SLC7A5 Q01650 1/20 0.41
CA1 P00915 3/20 0.41
TACR1 P25103 2/20 0.41
SYK P43405 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL7380413 1.00 PPARA (0.49) PPARASLC1A1CTSSPPARGLTA4H
SCHEMBL7338978 0.89 SLC1A1 (0.54) PPARASLC1A1CTSSPPARGLTA4H
SCHEMBL2584804 0.89 SLC1A1 (0.54) PPARASLC1A1CTSSPPARGLTA4H
SCHEMBL4220523 0.89 SLC1A1 (0.54) PPARASLC1A1CTSSPPARGLTA4H
SCHEMBL11725850 0.88 LTA4H (0.43) PPARASLC1A1CTSSPPARGLTA4H
SCHEMBL8148827 0.87 LTA4H (0.47) PPARASLC1A1CTSSPPARGLTA4H
SCHEMBL11387995 0.83 SLC7A5 (0.51) SLC1A1CTSSLTA4HSLC7A5
SCHEMBL28119342 0.81 LTA4H (0.52) SLC1A1LTA4HSLC7A5SYKL3MBTL1
SCHEMBL28119343 0.81 LTA4H (0.52) SLC1A1LTA4HSLC7A5SYKL3MBTL1
SCHEMBL16200527 0.80 SLC1A1 (0.59) SLC1A1SLC7A5CA1TACR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6992097-B2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 2006-01-31 US disclosed
US-20040122234-A1 Growth Hormone secretagogues HAUSER KENNETH LEE (US) 2004-06-24 US disclosed
US-6639076-B1 Such as 2-(2-amino-2-methylpropanoylamino)-n-(1-(2-oxo-1-phenyl-2-pyrrolidinylethyl -4-yl)-4-phenylbutanamide ELI LILLY AND COMPANY 2003-10-28 US disclosed
EP-1112071-A4 GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2003-03-19 EP disclosed
US-6329342-B1 CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY 2001-12-11 US disclosed
EP-1112071-A1 GROWTH HORMONE SECRETAGOGUES Eli Lilly & Company (US) 2001-07-04 EP disclosed
WO-2000010565-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2000-03-02 WO disclosed
EP-0933365-A2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 1999-08-04 EP disclosed
EP-0898963-A2 Congestive heart failure treatment ELI LILLY AND COMPANY (US) 1999-03-03 EP disclosed
WO-1999008699-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1999-02-25 WO disclosed
WO-1999008697-A1 TREATMENT OF CONGESTIVE HEART FAILURE WITH GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1999-02-25 WO disclosed
US-4507232-A Peptide derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 1985-03-26 US disclosed
US-4346078-A Novel anticoagulant agmatine derivatives and process for the preparation thereof RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1982-08-24 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-20040122234-A1 Growth Hormone secretagogues GHSR, GHRHR, CRH PPARA 1477/4885SLC1A1 2304/4885CTSS 683/4885

“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.