Sugi Predict

Sugi Predict / Compounds / SCHEMBL13064101

SCHEMBL13064101

SCHEMBL13064101

CCOC(=O)C(COC(C)=O)(CC(C)C)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ PKM P14618 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPT P10636 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP4F2 P78329 2/20 0.32
▸ CYP4A11 Q02928 2/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13020529 0.93 MMP8 (0.45) MMP8ALDH1A1LMNAHSD17B10MEN1
SCHEMBL12963338 0.87 MMP8 (0.43) MMP8ALDH1A1LMNAHSD17B10MEN1
SCHEMBL234014 0.85 MMP8 (0.56) MMP8ALDH1A1LMNAHSD17B10MEN1
SCHEMBL13020677 0.84 MMP8 (0.50) MMP8ALDH1A1LMNAHSD17B10MEN1
SCHEMBL14890726 0.84 MMP8 (0.49) MMP8ALDH1A1LMNAHSD17B10MEN1
SCHEMBL13020435 0.84 MMP8 (0.38) MMP8ALDH1A1LMNAHSD17B10
SCHEMBL2319226 0.83 MMP8 (0.51) MMP8ALDH1A1LMNAHSD17B10MEN1
SCHEMBL13020446 0.81 MMP8 (0.41) MMP8ALDH1A1LMNAHSD17B10MEN1
SCHEMBL13020530 0.81 MMP8 (0.41) MMP8ALDH1A1LMNAHSD17B10MEN1
SCHEMBL13063942 0.81 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331397-A1 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2010-12-30 — — US disclosed
US-20090181921-A1 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA INC. (US) 2009-07-16 — — US disclosed
US-20090181921-A1 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA INC. (US) 2009-07-16 — — US disclosed
WO-2009086201-A1 2-5A ANALOGS AND THEIR USE AS ANTI-CANCER, ANTI-VIRAL AND ANTI- PARAS ITI C AGENTS ALIOS BIOPHARMA, INC. (US) 2009-07-09 — — WO disclosed
US-20090176732-A1 PROTECTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA INC. (US) 2009-07-09 — — 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 (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-20090176732-A1 PROTECTED NUCLEOTIDE ANALOGS NTPCR, NT5C2, PNP MMP8 1572/4885ALDH1A1 941/4885LMNA 777/4885
US-20100331397-A1 2-5A ANALOGS AND THEIR METHODS OF USE RNASEL, RNASE1, RNASEH1 MMP8 229/4885ALDH1A1 1405/4885LMNA 822/4885
US-20090181921-A1 2-5A ANALOGS AND THEIR METHODS OF USE RNASEL, RNASE1, RNASEH1 MMP8 302/4885ALDH1A1 1161/4885LMNA 686/4885

“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.