Sugi Predict

Sugi Predict / Compounds / SCHEMBL3469555

SCHEMBL3469555

SCHEMBL3469555

CC(C)(C)[Si](OCCN(CCC(=O)OCc1ccccc1)CCN(CCC(=O)OCc1ccccc1)CCC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CHRM2 P08172 2/20 0.35
▸ CHRM4 P08173 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ CHRM3 P20309 2/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ LTA4H P09960 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34

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
SCHEMBL14472273 0.85 ALDH1A1 (0.41) ALDH1A1L3MBTL1LMNATDP1SMN1; SMN2
SCHEMBL6496823 0.83 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL5724513 0.80 ALDH1A1 (0.40) ALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL9956224 0.79 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL8720378 0.76 PPARG (0.41) LMNASMN1; SMN2KMT2AMEN1
SCHEMBL31246165 0.76 SLC15A1 (0.42) ALDH1A1MAPK1L3MBTL1
SCHEMBL14129790 0.75 ALDH1A1 (0.35) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL14439282 0.75 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL3457158 0.75 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL4323360 0.74 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2

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
EP-2266953-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues Draximage, Inc. (CA) 2010-12-29 — — EP disclosed
EP-2266954-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues Draximage, Inc. (CA) 2010-12-29 — — EP disclosed
US-7238339-B2 Bifunctional chelating compounds containing hydroxamic acid residues DRAXIS SPECIALTY PHARMACEUTICALS INC. (CA) 2007-07-03 — — US disclosed
US-7238339-B2 Bifunctional chelating compounds containing hydroxamic acid residues DRAXIS SPECIALTY PHARMACEUTICALS INC. (CA) 2007-07-03 — — US disclosed
US-20040086460-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues JUBILANT DRAXIMAGE INC. (CA) 2004-05-06 — — 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-20040086460-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues EPRS1, HAMP, PHPT1 ALDH1A1 3966/4885MAPK1 4228/4885L3MBTL1 1464/4885

“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.