Sugi Predict

Sugi Predict / Compounds / SCHEMBL3725229

SCHEMBL3725229

SCHEMBL3725229

CCOC(=O)C(COC(=O)Cc1ccc(N)c(C)c1)(C(=O)OCC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ PIN1 Q13526 1/20 0.36
▸ SKP2 Q13309 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ GAA P10253 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ LMNA P02545 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
SCHEMBL3735339 0.83 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1NPC1RAB9APKM
SCHEMBL13318874 0.82 MAPT (0.46) SMN1; SMN2L3MBTL1NPC1RAB9APKM
SCHEMBL5156693 0.80 SKP2 (0.49) SMN1; SMN2L3MBTL1NPC1RAB9APKM
SCHEMBL13318873 0.77 ALOX5 (0.52) L3MBTL1ALDH1A1LMNAMAPK1
SCHEMBL5862715 0.73 PIN1 (0.47) SMN1; SMN2PIN1ALDH1A1RECQLMMP8
SCHEMBL3727598 0.72 NR1H4 (0.57) SMN1; SMN2NPC1RAB9AGAAHTT
SCHEMBL3733236 0.72 MAPT (0.48) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL3726303 0.72 ALDH1A1 (0.40) L3MBTL1ALDH1A1MAPTKDM4EMEN1
SCHEMBL3727712 0.71 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL3730766 0.71 MEN1 (0.40) ALDH1A1MAPTKDM4EMEN1HPGD

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.