SCHEMBL6152278

SCHEMBL6152278

CCOC(=O)c1c[nH]nc1NC1CC(C)(c2ccc3c(c2)OCO3)OC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 2/20 0.39
ALOX15 P16050 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 4/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6153084 0.89 CYP2C9 (0.36) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL6153162 0.87 ALDH1A1 (0.40) ALDH1A1JAK2JAK3HSD17B10KDM4E
SCHEMBL6152574 0.85 SYK (0.35) JAK3KDM4ECASP1L3MBTL1MEN1
SCHEMBL6288883 0.84 SLC26A6 (0.37) ALDH1A1KDM4EMAPTTP53RAB9A
SCHEMBL6291829 0.84 JAK2 (0.40) ALDH1A1JAK2JAK3HSD17B10KDM4E
SCHEMBL6152990 0.79 NPC1 (0.33) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL6288861 0.78 ALOX15 (0.39) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL6295391 0.75 CYP2C9 (0.34) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL6153355 0.75
SCHEMBL6152459 0.75 NPC1 (0.49) ALDH1A1HSD17B10KDM4EHPGDMAPT

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
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US claimed
EP-1406610-B1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-01-26 EP claimed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 US claimed
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US disclosed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 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-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations BACE1, MYC, APP ALDH1A1 4494/4885JAK2 1207/4885JAK3 2377/4885

“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.