SCHEMBL2202338

SCHEMBL2202338

CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](N2CCCC2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.51
▸ EPHX1 P07099 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ PREP P48147 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ RIN1 Q13671 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PTPN6 P29350 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
SCHEMBL2202345 1.00 HPGD (0.51) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL2202344 1.00 HPGD (0.51) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL14815331 0.90 HPGD (0.42) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL14815332 0.90 HPGD (0.42) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL30181772 0.88 HPGD (0.47) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL390405 0.88 HPGD (0.47) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL4343676 0.88 HPGD (0.47) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL31209499 0.87 HPGD (0.49) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL31085605 0.85 NR1H2 (0.44) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL19947053 0.84 HPGD (0.52) HPGDEPHX1MAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 — — US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 — — EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 — — US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 — — 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 HPGD 1363/4885EPHX1 1516/4885MAPT 4214/4885

“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.

Send feedback