SCHEMBL1336737

SCHEMBL1336737

O=C(NCCC(OC(=O)c1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.56
▸ SLC1A1 P43005 1/20 0.56
▸ LMNA P02545 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HTT P42858 1/20 0.52
▸ SLC6A2 P23975 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ FOLH1 Q04609 3/20 0.48
▸ MAPT P10636 1/20 0.48
▸ TGM2 P21980 1/20 0.47
▸ KEAP1 Q14145 2/20 0.46
▸ NFE2L2 Q16236 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ DPP8 Q6V1X1 1/20 0.44
▸ DPP7 Q9UHL4 1/20 0.44

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
SCHEMBL1336735 1.00 SLC1A3 (0.56) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL11455100 0.86 SLC1A3 (0.57) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL1336892 0.84 L3MBTL1 (0.47) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL1336890 0.84 L3MBTL1 (0.47) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL2138934 0.84 SLC1A3 (0.61) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL2141425 0.84 SLC1A3 (0.61) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL2138927 0.84 SLC1A3 (0.61) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL22525113 0.84 SLC1A3 (0.55) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL22500192 0.82 SLC1A3 (0.54) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL7163506 0.80 SLC1A3 (0.62) SLC1A3SLC1A1LMNASMN1; SMN2HTT

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-8399419-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-03-19 — — US disclosed
WO-2011044538-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-01-05 — — WO disclosed
US-20110275586-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-11-10 — — US disclosed
WO-2011044538-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 — — 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-20110275586-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, MRPS23 SLC1A3 2658/4885SLC1A1 2588/4885LMNA 2240/4885

“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