SCHEMBL19609

SCHEMBL19609

CC(C)(C)OC(=O)CC(NCl)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TDP1 Q9NUW8 4/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
CACNA1B Q00975 2/20 0.35
NPR3 P17342 1/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL19365645 1.00 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL7871486 0.83 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL22398849 0.83 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL17995262 0.83 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL20632486 0.82 CYP2D6 (0.40) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL11938285 0.82 L3MBTL1 (0.36) CYP2D6TDP1MAPTGAAPOLB
Hydrochloric Acid SCHEMBL7268530 0.81 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL8284484 0.81 TDP1 (0.37) TDP1MAPTGAAPOLBNPSR1
SCHEMBL10209050 0.81 CTSK (0.41) TDP1MAPTGAAPOLBNPSR1
SCHEMBL25453619 0.80 CYP2D6 (0.44) CYP2D6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125025-B1 MULTI-FUNCTIONAL DRUG CARRIERS NITTO DENKO CORP (JP) 2012-11-14 EP disclosed
WO-2012027204-A1 END-CAPPED POLYMERS NITTO DENKO CORPORATION (JP) 2012-03-01 WO disclosed
EP-2206736-B1 Polyglutamate-amino acid conjugates and methods NITTO DENKO CORP (JP) 2012-02-08 EP disclosed
WO-2011112733-A1 CARBOHYDRATE-POLYAMINO ACID-DRUG CONJUGATES NITTO DENKO CORPORATION (JP) 2011-09-15 WO disclosed
US-20110224148-A1 CARBOHYDRATE-POLYAMINO ACID-DRUG CONJUGATES NITTO DENKO CORPORATION (JP) 2011-09-15 US disclosed
EP-2325232-A1 Polyglutamate-amino acid conjugates and methods Nitto Denko Corporation (JP) 2011-05-25 EP disclosed
EP-2206736-A1 Polyglutamate-amino acid conjugates and methods Nitto Denko Corporation (JP) 2010-07-14 EP disclosed
WO-2010029760-A1 IMAGING AGENTS OF FIBROTIC DISEASES NITTO DENKO CORPORATION (JP) 2010-03-18 WO disclosed
EP-1969031-B1 POLYGLUTAMATE-AMINO ACID CONJUGATES AND METHODS NITTO DENKO CORP (JP) 2009-06-03 EP disclosed
WO-2008141111-A2 POLYMERS CONJUGATED WITH PLATINUM DRUGS NITTO DENKO CORPORATION (JP) 2008-11-20 WO disclosed
WO-2008141107-A2 COMPOSITIONS THAT INCLUDE A HYDROPHOBIC COMPOUND AND A POLYAMINO ACID CONJUGATE NITTO DENKO CORPORATION (JP) 2008-11-20 WO disclosed
WO-2008141110-A2 POLYGLUTAMATE CONJUGATES AND POLYGLUTAMATE-AMINO ACID CONJUGATES HAVING A PLURALITY OF DRUGS NITTO DENKO CORPORATION (JP) 2008-11-20 WO disclosed
WO-2008094834-A2 MULTI-FUNCTIONAL DRUG CARRIERS NITTO DENKO CORPORATION (JP) 2008-08-07 WO 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-20110224148-A1 CARBOHYDRATE-POLYAMINO ACID-DRUG CONJUGATES CSGALNACT1, FUT6, FUT5 CYP2D6 2707/4885HDAC3 183/4885HDAC1 311/4885

“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.