SCHEMBL9933277

SCHEMBL9933277

NCCCC[C@H](N)C(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
SIRT2 Q8IXJ6 2/20 0.51
SIRT1 Q96EB6 2/20 0.51
SIRT3 Q9NTG7 2/20 0.51
TLR2 O60603 2/20 0.51
CPB1 P15086 1/20 0.49
CPB2 Q96IY4 1/20 0.49
KMT2A Q03164 1/20 0.46
ANPEP P15144 1/20 0.45
TPSAB1 Q15661 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
DPP4 P27487 1/20 0.44
MMP2 P08253 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP7 Q9UHL4 1/20 0.43

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
SCHEMBL9933279 1.00 HDAC1 (0.52) HDAC1HDAC2SIRT2SIRT1SIRT3
SCHEMBL30895549 0.90 TLR2 (0.54) SIRT2SIRT1SIRT3TLR2CPB1
SCHEMBL17246792 0.90 TLR2 (0.54) SIRT2SIRT1SIRT3TLR2CPB1
SCHEMBL10088326 0.90 HDAC1 (0.60) HDAC1HDAC2TLR2KMT2ADPP4
SCHEMBL30424446 0.90 HDAC1 (0.60) HDAC1HDAC2TLR2KMT2ADPP4
SCHEMBL16327875 0.90 HDAC1 (0.60) HDAC1HDAC2TLR2KMT2ADPP4
SCHEMBL16181596 0.90 HDAC1 (0.60) HDAC1HDAC2TLR2KMT2ADPP4
SCHEMBL30895406 0.89 TLR2 (0.52) TLR2CPB1CPB2KMT2A
SCHEMBL13411458 0.87 HDAC1 (0.59) HDAC1HDAC2TLR2KMT2ATPSAB1
SCHEMBL30480376 0.87 HDAC1 (0.59) HDAC1HDAC2TLR2KMT2ATPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796756-B2 Galactose cluster-pharmacokinetic modulator targeting moiety for siRNA Arrowhead Pharmaceuticals, Inc. (US) 2017-10-24 US disclosed
US-9796756-B2 Galactose cluster-pharmacokinetic modulator targeting moiety for siRNA Arrowhead Pharmaceuticals, Inc. (US) 2017-10-24 US disclosed
US-9796756-B2 Galactose cluster-pharmacokinetic modulator targeting moiety for siRNA Arrowhead Pharmaceuticals, Inc. (US) 2017-10-24 US disclosed
EP-3192800-A1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR SIRNA Arrowhead Pharmaceuticals, Inc. (US) 2017-07-19 EP disclosed
EP-3192800-A1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR SIRNA Arrowhead Pharmaceuticals, Inc. (US) 2017-07-19 EP disclosed
EP-2652134-B1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR SIRNA ARROWHEAD PHARMACEUTICALS INC (US) 2017-03-01 EP disclosed
EP-2652134-B1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR SIRNA ARROWHEAD PHARMACEUTICALS INC (US) 2017-03-01 EP disclosed
US-20160102120-A1 Galactose Cluster-Pharmacokinetic Modulator Targeting Moiety for siRNA SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2016-04-14 US disclosed
US-20160102120-A1 Galactose Cluster-Pharmacokinetic Modulator Targeting Moiety for siRNA SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2016-04-14 US disclosed
US-20160102120-A1 Galactose Cluster-Pharmacokinetic Modulator Targeting Moiety for siRNA SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2016-04-14 US disclosed
US-9249179-B2 Galactose cluster-pharmacokinetic modulator targeting moiety for siRNA Arrowhead Madison Inc. (US) 2016-02-02 US disclosed
US-9249179-B2 Galactose cluster-pharmacokinetic modulator targeting moiety for siRNA Arrowhead Madison Inc. (US) 2016-02-02 US disclosed
US-9249179-B2 Galactose cluster-pharmacokinetic modulator targeting moiety for siRNA Arrowhead Madison Inc. (US) 2016-02-02 US disclosed
EP-2652134-A2 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR SIRNA Arrowhead Research Corporation (US) 2013-10-23 EP disclosed
WO-2012083046-A2 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR SIRNA ARROWHEAD RESEARCH CORPORATION (US) 2012-06-21 WO disclosed
WO-2012083046-A2 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR SIRNA ARROWHEAD RESEARCH CORPORATION (US) 2012-06-21 WO disclosed
US-20120157509-A1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR siRNA ARROWHEAD RESEARCH CORPORATION 2012-06-21 US disclosed
US-20120157509-A1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR siRNA ARROWHEAD RESEARCH CORPORATION 2012-06-21 US disclosed
US-20120157509-A1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR siRNA ARROWHEAD RESEARCH CORPORATION 2012-06-21 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 (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-20160102120-A1 Galactose Cluster-Pharmacokinetic Modulator Targeting Moiety for siRNA GALK1, GALE, GALNT6 HDAC1 696/4885HDAC2 1098/4885SIRT2 1236/4885
US-20120157509-A1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR siRNA GALK1, GALE, GALNT6 HDAC1 696/4885HDAC2 1098/4885SIRT2 1236/4885

“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.