SCHEMBL5230870

SCHEMBL5230870

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.56
PPARG P37231 2/20 0.52
CTSS P25774 2/20 0.48
FOLH1 Q04609 1/20 0.44
MME P08473 1/20 0.42
KLK7 P49862 2/20 0.41
KLK5 Q9Y337 2/20 0.41
RAB9A P51151 1/20 0.39
PTPN1 P18031 4/20 0.38
CDC25B P30305 4/20 0.38
PTPN2 P17706 3/20 0.38
CDC25A P30304 2/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38
ACE P12821 1/20 0.38
SLC1A1 P43005 1/20 0.38
CTSL P07711 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL6706558 0.84 PPARA (0.55) PPARAPPARGCTSSFOLH1MME
SCHEMBL31163762 0.83 PPARA (0.66) PPARAPPARGCTSSFOLH1MME
SCHEMBL27586123 0.83 PPARA (0.66) PPARAPPARGCTSSFOLH1MME
SCHEMBL7592364 0.79 PPARA (0.50) PPARAPPARGCTSSFOLH1MME
SCHEMBL5247747 0.77 PPARA (0.71) PPARAPPARGCTSSFOLH1MME
SCHEMBL5227731 0.77 PPARA (0.71) PPARAPPARGCTSSFOLH1MME
SCHEMBL7588488 0.76 FOLH1 (0.59) PPARAPPARGCTSSFOLH1MME
SCHEMBL1132901 0.76 PPARA (0.90) PPARAPPARGCTSSFOLH1MME
SCHEMBL17051 0.76 PPARA (0.90) PPARAPPARGCTSSFOLH1MME
SCHEMBL828674 0.76 PPARA (0.90) PPARAPPARGCTSSFOLH1MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001970-B1 DIPEPTIDE DERIVATIVES AS GROWTH HORMONE SECRETAGOGUES PFIZER (US) 2007-03-07 EP disclosed
US-6953791-B2 Dipeptide derivatives PFIZER, INC. (US) 2005-10-11 US disclosed
US-6951850-B2 Dipeptide derivatives PFIZER, INC. (US) 2005-10-04 US disclosed
US-6924280-B2 Dipeptide derivatives PFIZER INC. (US) 2005-08-02 US disclosed
US-RE38524-E1 Dipeptide derivatives as growth hormone secretagogues PFIZER INC. 2004-06-01 US disclosed
US-20040009984-A1 Increasing levels of endogenous growth hormone, especially treating osterporosis, aging frailty or congestive heart failure CARPINO PHILIP ALBERT (US) 2004-01-15 US disclosed
US-20040006063-A1 Dipeptide derivatives CARPINO PHILIP ALBERT (US) 2004-01-08 US disclosed
US-6525047-B2 Which are growth hormone secretogogues and increase the level of endogenous growth hormone; treating osteoporosis, congestive heart failure, frailty associated with aging, obesity; accelerating bone fracture repair PFIZER INC. 2003-02-25 US disclosed
US-6432945-B1 Dipeptide derivatives PFIZER INC. 2002-08-13 US disclosed
US-6433171-B1 FOR OSTEOPOROSIS AND/OR FRAILTY, CONGESTIVE HEART FAILURE, FRAILTY ASSOCIATED WITH AGING, OBESITY; ACCELERATING BONE FRACTURE REPAIR, ATTENUATING PROTEIN CATABOLIC RESPONSE AFTER A MAJOR OPERATION, REDUCING CACHEXIA AND PROTEIN LOSS PFIZER INC. 2002-08-13 US disclosed
US-20010041703-A1 Dipeptide derivatives CARPINO PHILIP ALBERT (US) 2001-11-15 US disclosed
US-6251902-B1 Dipeptide derivatives as growth hormone secretagogues PFIZER INC. 2001-06-26 US disclosed
EP-1001970-A1 DIPEPTIDE DERIVATIVES AS GROWTH HORMONE SECRETAGOGUES PFIZER INC. (US) 2000-05-24 EP disclosed
WO-1998058947-A1 DIPEPTIDE DERIVATIVES AS GROWTH HORMONE SECRETAGOGUES PFIZER INC. (US) 1998-12-30 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 (3 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-20040009984-A1 Increasing levels of endogenous growth hormone, especially treating osterporosis, aging frailty or congestive heart failure GHSR, GHRHR, GIPR PPARA 1592/4885PPARG 238/4885CTSS 850/4885
US-20010041703-A1 Dipeptide derivatives GIPR, GHRHR, GHSR PPARA 1849/4885PPARG 391/4885CTSS 2159/4885
US-20040006063-A1 Dipeptide derivatives GIPR, GHRHR, GHSR PPARA 1586/4885PPARG 386/4885CTSS 1947/4885

“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.