Sugi Predict

Sugi Predict / Compounds / SCHEMBL4795832

SCHEMBL4795832

SCHEMBL4795832

CCOC(=O)C(Cc1c(OC)cccc1[N+](=O)[O-])(NC(C)=O)C(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ RECQL P46063 1/20 0.53
▸ PKM P14618 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ THRB P10828 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ ATM Q13315 2/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4897313 0.87 ALDH1A1 (0.56) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL25331586 0.85 ALDH1A1 (0.54) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL29043943 0.82 ALDH1A1 (0.55) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL10756558 0.81 ALDH1A1 (0.53) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL4063597 0.80 ALDH1A1 (0.62) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL10278608 0.80 ALDH1A1 (0.56) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL7422196 0.80 ALDH1A1 (0.58) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL6747616 0.77 ALDH1A1 (0.65) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL3768538 0.76 ALDH1A1 (0.51) ALDH1A1RECQLPKMKDM4EMAPK1
SCHEMBL3808666 0.76 ALDH1A1 (0.54) ALDH1A1RECQLPKMKDM4EMAPK1

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-7425550-B2 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MEYERS SQUIBB COMPANY (US) 2008-09-16 — — US disclosed
US-7098235-B2 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds BRISTOL-MYERS SQUIBB CO. (US) 2006-08-29 — — US disclosed
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use SHER PHILIP 2006-06-15 — — US disclosed
US-7057046-B2 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-06 — — US disclosed
US-20040142938-A1 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds BRISTOL-MYERS SQUIBB COMPANY 2004-07-22 — — US disclosed
US-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MYERS SQUIBB COMPANY 2004-01-01 — — 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-20040142938-A1 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds PYGL, PNLIP, PYGM ALDH1A1 2808/4885RECQL 642/4885PKM 496/4885
US-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS2 ALDH1A1 2992/4885RECQL 702/4885PKM 629/4885
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS1 ALDH1A1 3723/4885RECQL 801/4885PKM 266/4885

“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.