SCHEMBL4187645

SCHEMBL4187645

CC(C)(C)OC(=O)C(N)C(N)(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.35
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32
NOS1 P29475 2/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL2330290 0.81 DGAT1 (0.38) DGAT1ALDH1A1MAPTPTGS1
SCHEMBL4939145 0.80 DGAT1 (0.40) DGAT1ALDH1A1
SCHEMBL28195825 0.80 DGAT1 (0.40) DGAT1ALDH1A1
SCHEMBL9116850 0.80 DGAT1 (0.40) DGAT1ALDH1A1
SCHEMBL27708714 0.80 CTSS (0.36) DGAT1
SCHEMBL10803405 0.80 DGAT1 (0.34) DGAT1
SCHEMBL15375658 0.79 ALDH1A1 (0.35) DGAT1ALDH1A1MAPTPTGS1NOS1
SCHEMBL27780857 0.78 LTA4H (0.44) ALDH1A1
SCHEMBL3378309 0.78 DGAT1 (0.35) DGAT1
SCHEMBL28292144 0.77 CTSK (0.38) DGAT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306053-A1 Highly selective rho-kinase inhibitor D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2009-12-10 US disclosed
EP-1878732-B1 HIGHLY SELECTIVE Rho-KINASE INHIBITOR WESTERN THERAPEUTICS INST INC (JP) 2009-02-25 EP disclosed
EP-1878732-A1 HIGHLY SELECTIVE Rho-KINASE INHIBITOR D. Western Therapeutics Institute (JP) 2008-01-16 EP disclosed
WO-2007131286-A1 NANOSTRUCTURES SUITABLE FOR DELIVERY OF AGENTS APOLLO LIFE SCIENCES LIMITED (AU) 2007-11-22 WO disclosed
WO-2004076434-A1 DIPEPTIDYL PEPTIDASE INHIBITORS AIC (BE) 2004-09-10 WO disclosed
WO-2004076433-A1 DIPEPTIDYL PEPTIDASE INHIBITORS AIC (BE) 2004-09-10 WO disclosed
US-4410688-A POLYAMIDES FROM DIAMINOCARBOXYLIC ACIDS ALLIED CORPORATION (US) 1983-10-18 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-20090306053-A1 Highly selective rho-kinase inhibitor ROCK1, ROCK2, RHOT2 DGAT1 2853/4885ALDH1A1 2609/4885MAPT 1271/4885

“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.