SCHEMBL9933450

SCHEMBL9933450

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

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.53
KLK5 Q9Y337 2/20 0.53
TLR2 O60603 1/20 0.52
TLR1 Q15399 1/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
MAPT P10636 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
KMT2A Q03164 1/20 0.47

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
SCHEMBL18568079 1.00 KLK7 (0.53) KLK7KLK5TLR2TLR1HDAC1
SCHEMBL30266749 0.96 KLK7 (0.51) KLK7KLK5TLR2TLR1HDAC1
SCHEMBL30266828 0.96 KLK7 (0.51) KLK7KLK5TLR2TLR1HDAC1
SCHEMBL28443557 0.96 KLK7 (0.51) KLK7KLK5TLR2TLR1HDAC1
SCHEMBL30266783 0.96 KLK7 (0.51) KLK7KLK5TLR2TLR1HDAC1
SCHEMBL28442382 0.96 KLK7 (0.51) KLK7KLK5TLR2TLR1HDAC1
SCHEMBL28434464 0.96 KLK7 (0.51) KLK7KLK5TLR2TLR1HDAC1
SCHEMBL31011377 0.96 KLK7 (0.54) KLK7KLK5TLR2TLR1HDAC1
SCHEMBL2289683 0.96 KLK7 (0.54) KLK7KLK5TLR2TLR1HDAC1
SCHEMBL14064950 0.96 KLK7 (0.54) KLK7KLK5TLR2TLR1HDAC1

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
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
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
WO-2012083046-A2 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR SIRNA ARROWHEAD RESEARCH CORPORATION (US) 2012-06-21 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 (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 KLK7 2343/4885KLK5 2525/4885TLR2 2730/4885
US-20120157509-A1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR siRNA GALK1, GALE, GALNT6 KLK7 2343/4885KLK5 2525/4885TLR2 2730/4885

“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.