SCHEMBL5519612

SCHEMBL5519612

COc1ccc(COC(=O)NCCC(O)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
ALDH1A1 P00352 2/20 0.52
GLA P06280 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 1/20 0.49
SLC1A3 P43003 1/20 0.48
SLC1A1 P43005 1/20 0.48
LDHA P00338 1/20 0.47
CASR P41180 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
MIF P14174 1/20 0.45
GAA P10253 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL5519606 1.00 ATM (0.55) ATMALDH1A1GLAKMT2AL3MBTL1
SCHEMBL11147827 0.92 ATM (0.53) ATMALDH1A1GLAKMT2AL3MBTL1
SCHEMBL7400596 0.86 ATM (0.57) ATMALDH1A1GLAKMT2AL3MBTL1
SCHEMBL7381205 0.86 ATM (0.57) ATMALDH1A1GLAKMT2AL3MBTL1
SCHEMBL11148163 0.86 ATM (0.57) ATMALDH1A1GLAKMT2AL3MBTL1
SCHEMBL735799 0.85 SLC1A3 (0.64) KMT2AL3MBTL1MAPTSLC1A3SLC1A1
SCHEMBL334926 0.85 SLC1A3 (0.64) KMT2AL3MBTL1MAPTSLC1A3SLC1A1
SCHEMBL334927 0.85 SLC1A3 (0.64) KMT2AL3MBTL1MAPTSLC1A3SLC1A1
SCHEMBL9800497 0.83 KMT2A (0.57) ATMKMT2ACTSLCTSSCTSK
SCHEMBL9828159 0.81 HTT (0.58) ATMALDH1A1GLAKMT2AL3MBTL1

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-20070161581-A1 Novel aminoglycoside antibiotics effective against methicillin resistant staphylococcus auerus (mrsas) MEIJI SEIKA KAISHA, LTD. (JP) 2007-07-12 US disclosed
EP-1710248-A1 NOVEL AMINOGLYCOSIDE ANTIBIOTIC EFFECTIVE AGAINST METHICILLIN RESISTANT STAPHYLOCOCCUS AUREUS (MRSA) MEIJI SEIKA KAISHA LTD. (JP) 2006-10-11 EP disclosed
EP-0601909-B1 Dibekacin derivatives and arbekacin derivatives active against resistant bacteria, and the production thereof ZAIDAN HOJIN BISEIBUTSU (JP) 1998-12-23 EP disclosed
US-5618795-A Dibekacin derivatives and arbekacin derivatives active against resistant bacteria, and the production thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1997-04-08 US disclosed
US-5488038-A Dibekacin derivatives and arbekacin derivatives active against resistant bacteria ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1996-01-30 US disclosed
EP-0601909-A2 Dibekacin derivatives and arbekacin derivatives active against resistant bacteria, and the production thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1994-06-15 EP disclosed
US-4297485-A Production of a selectively protected N-acylated derivative of an aminoglycosidic antibiotic ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1981-10-27 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 (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-20070161581-A1 Novel aminoglycoside antibiotics effective against methicillin resistant staphylococcus auerus (mrsas) RPS11, RPS18, MRPS17 ATM 2016/4885ALDH1A1 2089/4885GLA 689/4885

“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.