SCHEMBL583985

SCHEMBL583985

C[C@@H](OCc1ccccc1)C(=O)NN

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
GAA P10253 1/20 0.49
SLC1A3 P43003 2/20 0.49
SLC1A2 P43004 2/20 0.49
SLC1A1 P43005 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
LTA4H P09960 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PSMB5 P28074 1/20 0.45
CTSD P07339 1/20 0.44
OGG1 O15527 1/20 0.44
MMP9 P14780 2/20 0.44
MMP8 P22894 2/20 0.44
NPC1 O15118 2/20 0.44

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
SCHEMBL2821271 1.00 ALDH1A1 (0.49) ALDH1A1GAASLC1A3SLC1A2SLC1A1
SCHEMBL583986 1.00 ALDH1A1 (0.49) ALDH1A1GAASLC1A3SLC1A2SLC1A1
SCHEMBL13555325 0.85 LTA4H (0.48) ALDH1A1GAASLC1A3SLC1A2SLC1A1
SCHEMBL14336343 0.85 LTA4H (0.48) ALDH1A1GAASLC1A3SLC1A2SLC1A1
SCHEMBL376695 0.84 SLC1A3 (0.53) ALDH1A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL18381513 0.84 SLC1A3 (0.53) ALDH1A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL26963671 0.84 SLC1A3 (0.53) ALDH1A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL6354865 0.84 ALDH1A1 (0.51) ALDH1A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL12848459 0.83 PSMB5 (0.48) ALDH1A1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL25407403 0.83 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
EP-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 EP disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 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 (2 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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG ALDH1A1 461/4885GAA 1306/4885SLC1A3 4081/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR ALDH1A1 3479/4885GAA 1529/4885SLC1A3 1873/4885

“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.