Sugi Predict

Sugi Predict / Compounds / SCHEMBL584297

SCHEMBL584297

SCHEMBL584297

CCOC(=O)CC(=O)C1CCCC2(C1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ MGAM O43451 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SI P14410 1/20 0.37
▸ MGAM2 Q2M2H8 1/20 0.37
▸ TSHR P16473 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MMP13 P45452 3/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ CTDSP1 Q9GZU7 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
SCHEMBL584691 0.92 GAA (0.39) CYP2C19MAPK1CYP3A4SMN1; SMN2TP53
SCHEMBL20624974 0.87 MMP13 (0.36) CYP2C19MAPK1CYP3A4SMN1; SMN2TP53
SCHEMBL595059 0.84 MAPK1 (0.41) CYP2C19MAPK1CYP3A4SMN1; SMN2TP53
SCHEMBL13308632 0.83 CYP3A4 (0.48) CYP2C19MAPK1CYP3A4SMN1; SMN2TP53
SCHEMBL1654619 0.83 CYP3A4 (0.48) CYP2C19MAPK1CYP3A4SMN1; SMN2TP53
SCHEMBL583466 0.83 POLB (0.43) CYP2C19MAPK1CYP3A4SMN1; SMN2TP53
SCHEMBL11072543 0.80 GAA (0.41) MGAMGAASIMGAM2TSHR
SCHEMBL1617817 0.76 GAA (0.54) SMN1; SMN2POLBMGAMGAASI
SCHEMBL2005270 0.76 GAA (0.54) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL1812235 0.75 MMP2 (0.38) CYP2C19MAPK1CYP3A4SMN1; SMN2TP53

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
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
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
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 — — 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 (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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR CYP2C19 2898/4885MAPK1 277/4885CYP3A4 3581/4885

“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.