SCHEMBL3897900

SCHEMBL3897900

CCOC(=O)CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.38
NR1H2 P55055 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
PARP1 P09874 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ABHD6 Q9BV23 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL21722174 0.92 PARP1 (0.39) SRCNR1H2ALDH1A1MEN1MAPT
SCHEMBL28942832 0.81 NR1H2 (0.49) NR1H2ALDH1A1MEN1MAPTKMT2A
SCHEMBL1944901 0.81 NR1H2 (0.49) NR1H2ALDH1A1MEN1MAPTKMT2A
SCHEMBL22805355 0.81 PARP1 (0.35) NR1H2ALDH1A1MEN1MAPTKMT2A
SCHEMBL22806457 0.81 NR1H2 (0.40) NR1H2ALDH1A1MEN1MAPTKMT2A
SCHEMBL23555938 0.80 NR1H2 (0.44) SRCNR1H2ALDH1A1MEN1MAPT
SCHEMBL18655340 0.80 NR1H2 (0.44) SRCNR1H2ALDH1A1MEN1MAPT
SCHEMBL6730882 0.80 ALDH1A1 (0.40) NR1H2ALDH1A1MEN1MAPTKMT2A
SCHEMBL25209218 0.80 NR1H2 (0.34) NR1H2ALDH1A1MEN1MAPTKMT2A
SCHEMBL22805588 0.79 PARP1 (0.34) NR1H2ALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534887-B2 Thiazoline derivative and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-19 US disclosed
US-20070010528-A1 Thiazoline derivative and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1669352-A1 THIAZOLINE DERIVATIVE AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2006-06-14 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 (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-20070010528-A1 Thiazoline derivative and use of the same TBXA2R, F2, F3 SRC 996/4885NR1H2 73/4885ALDH1A1 2163/4885

“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.