Sugi Predict

Sugi Predict / Compounds / SCHEMBL3735339

SCHEMBL3735339

SCHEMBL3735339

CCOC(=O)C(COC(=O)Cc1ccc([N+](=O)[O-])c(C)c1)(C(=O)OCC)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ L3MBTL1 Q9Y468 4/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TSHR P16473 1/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ HTT P42858 2/20 0.39
▸ MAPT P10636 4/20 0.38
▸ BLM P54132 1/20 0.37
▸ PKM P14618 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ NPBWR1 P48145 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL3725229 0.83 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1NPC1RAB9AMEN1
SCHEMBL26264596 0.82 LMNA (0.50) SMN1; SMN2L3MBTL1NPC1RAB9ATSHR
SCHEMBL13318874 0.79 MAPT (0.46) SMN1; SMN2L3MBTL1NPC1RAB9AKMT2A
SCHEMBL1557729 0.78 ALDH1A1 (0.47) SMN1; SMN2L3MBTL1NPC1RAB9ATSHR
SCHEMBL1557733 0.76 ALDH1A1 (0.45) SMN1; SMN2L3MBTL1NPC1RAB9ATSHR
SCHEMBL1557731 0.76 ALDH1A1 (0.45) SMN1; SMN2L3MBTL1NPC1RAB9ATSHR
SCHEMBL13318873 0.74 ALOX5 (0.52) L3MBTL1LMNAALDH1A1MAPK1
SCHEMBL5465423 0.73 PDGFRB (0.53) SMN1; SMN2L3MBTL1NPC1RAB9ATSHR
SCHEMBL3732687 0.73 ALDH1A1 (0.52) SMN1; SMN2L3MBTL1RAB9ATSHRMEN1
SCHEMBL14777639 0.71 TSHR (0.58) SMN1; SMN2L3MBTL1NPC1RAB9ATSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 — — US disclosed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 — — US disclosed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 — — US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 — — US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 — — US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 — — US disclosed
US-20050075367-A1 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-04-07 — — US disclosed
EP-1479666-A1 ESTER COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-11-24 — — EP 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-20050075367-A1 Ester compound and medicinal use thereof LIPC, CES1, MTTP SMN1; SMN2 4775/4885L3MBTL1 363/4885NPC1 43/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP SMN1; SMN2 4782/4885L3MBTL1 640/4885NPC1 37/4885

“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.