Sugi Predict

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SCHEMBL4495894

SCHEMBL4495894

CC1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C=O)CC(C)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ GAA P10253 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ LPL P06858 4/20 0.35
▸ LIPG Q9Y5X9 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL15657536 0.82 KDM4E (0.46) ALDH1A1GAASMN1; SMN2MAPTLMNA
SCHEMBL30748919 0.82 KDM4E (0.46) ALDH1A1GAASMN1; SMN2MAPTLMNA
SCHEMBL4511002 0.81 KDM4E (0.40) ALDH1A1GAASMN1; SMN2MAPTLMNA
SCHEMBL19991500 0.81 ALDH1A1 (0.54) ALDH1A1GAASMN1; SMN2MAPTLMNA
SCHEMBL2214608 0.80 GAA (0.35) ALDH1A1GAASMN1; SMN2MAPTLMNA
SCHEMBL4519113 0.80 KDM4E (0.34) ALDH1A1LPLLIPGKDM4EHTT
SCHEMBL27159745 0.78 ALDH1A1 (0.36) ALDH1A1GAASMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL27159838 0.77 ALDH1A1 (0.35) ALDH1A1GAASMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL27204333 0.77 ALDH1A1 (0.35) ALDH1A1GAASMN1; SMN2MAPTLMNA
SCHEMBL23731971 0.76 MAPT (0.47) ALDH1A1MAPTLPLLIPGTSHR

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
EP-2620439-A1 8-pyrazinyl-S-spiropyrimidinetrione-oxazinoquinoline derivatives as antibacterial agents PAH USA 15 LLC (US) 2013-07-31 — — EP disclosed
US-20090275536-A1 Antibacterial Agents PFIZER INC 2009-11-05 — — US disclosed
US-7557100-B2 Antibacterial agents PFIZER INC. (US) 2009-07-07 — — US disclosed
EP-1971612-A1 8-PYRAZINYL-S-SPIROPYRIMIDINETRIONE-OXAZINOQUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS Pfizer Products Inc. (US) 2008-09-24 — — EP disclosed
US-20070197518-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-23 — — US disclosed
WO-2007072151-A1 8-PYRAZINYL-S-SPIROPYRIMIDINETRIONE-OXAZINOQUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS PFIZER PRODUCTS INC. (US) 2007-06-28 — — 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 (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-20090275536-A1 Antibacterial Agents CLPP, MRPL21, SPOUT1 ALDH1A1 3063/4885GAA 114/4885SMN1; SMN2 3634/4885
US-20070197518-A1 Antibacterial agents CLPP, MRPL21, SPOUT1 ALDH1A1 3063/4885GAA 114/4885SMN1; SMN2 3634/4885

“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.